#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x4s s SER 2 N 0.00 6.59 0.20 1.61 1.04 -1.26 -3.02 113.70 118.87 2x4s s SER 2 Ca 0.00 1.68 0.01 0.00 0.48 0.00 0.00 55.95 58.12 2x4s s SER 2 Cb 0.00 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.55 2x4s s SER 2 CO 0.00 -0.61 0.05 -1.00 0.98 0.00 0.00 173.24 172.67 2x4s s HIS 3 N -2.38 1.28 -0.03 5.02 0.09 0.13 -4.94 115.29 114.45 2x4s s HIS 3 Ca 0.61 -1.14 -0.09 0.00 -0.00 0.00 0.00 55.06 54.45 2x4s s HIS 3 Cb -0.11 -0.72 0.01 0.00 -0.00 0.00 0.00 32.58 31.76 2x4s s HIS 3 CO 0.25 -0.34 0.19 -1.54 -0.00 0.00 0.00 174.74 173.30 2x4s s SER 4 N -3.21 -0.11 -0.05 1.40 1.04 -1.26 0.67 113.70 112.18 2x4s s SER 4 Ca 0.30 0.09 0.05 0.00 0.48 0.00 0.00 55.95 56.88 2x4s s SER 4 Cb 0.07 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 2x4s s SER 4 CO 0.08 -0.26 -0.20 -0.32 0.98 0.00 0.00 173.24 173.51 2x4s s MET 5 N -0.78 2.13 -0.01 4.02 -2.45 -0.20 -0.36 119.30 121.66 2x4s s MET 5 Ca -0.09 -0.73 -0.04 0.00 -1.25 0.00 0.00 55.69 53.59 2x4s s MET 5 Cb -0.05 -1.81 0.00 0.00 1.25 0.00 0.00 34.83 34.22 2x4s s MET 5 CO 0.01 0.29 0.08 1.03 1.05 0.00 0.00 175.02 177.48 2x4s s ARG 6 N -0.01 0.27 -0.08 4.11 0.52 -0.64 -1.33 118.95 121.79 2x4s s ARG 6 Ca -0.05 -0.20 0.04 0.00 -0.52 0.00 0.00 55.73 55.00 2x4s s ARG 6 Cb -0.13 0.11 -0.01 0.00 0.52 0.00 0.00 34.95 35.44 2x4s s ARG 6 CO 0.03 -0.05 -0.20 0.71 0.02 0.00 0.00 175.30 175.81 2x4s s TYR 7 N -0.73 2.58 -0.10 -0.53 2.02 0.71 -0.77 117.35 120.53 2x4s s TYR 7 Ca -0.08 -0.65 0.01 0.00 -0.37 0.00 0.00 57.07 55.98 2x4s s TYR 7 Cb -0.05 -1.67 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 2x4s s TYR 7 CO 0.00 -0.17 -0.12 -0.06 -1.57 0.00 0.00 175.55 173.63 2x4s s PHE 8 N -0.09 2.81 -0.08 2.71 0.08 -0.12 -1.41 117.98 121.88 2x4s s PHE 8 Ca -0.05 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.61 2x4s s PHE 8 Cb -0.14 -1.77 0.02 0.00 -0.57 0.00 0.00 43.02 40.55 2x4s s PHE 8 CO 0.04 -0.02 -0.11 -0.06 -0.10 0.00 0.00 175.22 174.96 2x4s s PHE 9 N -0.09 1.54 0.10 0.36 0.08 0.18 -1.48 117.98 118.68 2x4s s PHE 9 Ca -0.01 -0.65 0.08 0.00 0.12 0.00 0.00 56.93 56.47 2x4s s PHE 9 Cb -0.14 -1.17 -0.04 0.00 -0.57 0.00 0.00 43.02 41.11 2x4s s PHE 9 CO 0.03 -0.37 -0.16 0.99 -0.10 0.00 0.00 175.22 175.61 2x4s s THR 10 N 0.99 2.96 -0.26 0.64 2.01 -0.51 -0.72 115.64 120.75 2x4s s THR 10 Ca -0.08 -1.41 -0.01 0.00 0.31 0.00 0.00 61.69 60.50 2x4s s THR 10 Cb -0.15 -2.35 0.15 0.00 0.01 0.00 0.00 72.50 70.16 2x4s s THR 10 CO -0.00 0.13 0.41 -0.55 -0.69 0.00 0.00 174.62 173.92 2x4s s SER 11 N -2.06 0.10 -0.13 3.53 0.15 0.44 -1.81 113.70 113.93 2x4s s SER 11 Ca 0.18 0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.96 2x4s s SER 11 Cb -0.11 1.22 -0.02 0.00 -1.71 0.00 0.00 66.02 65.41 2x4s s SER 11 CO 0.10 -0.31 -0.11 -0.69 1.20 0.00 0.00 173.24 173.44 2x4s s VAL 12 N 2.58 3.28 0.44 4.45 1.01 -0.66 -0.39 120.40 131.11 2x4s s VAL 12 Ca 0.13 -0.59 -0.23 0.00 0.00 0.00 0.00 61.98 61.29 2x4s s VAL 12 Cb -0.15 -2.38 -0.08 0.00 0.00 0.00 0.00 36.38 33.77 2x4s s VAL 12 CO -0.20 0.53 1.11 -0.94 0.00 0.00 0.00 175.10 175.59 2x4s s SER 13 N 0.21 6.43 -0.62 3.32 1.04 -0.68 -0.31 113.70 123.09 2x4s s SER 13 Ca -0.07 2.17 0.05 0.00 0.48 0.00 0.00 55.95 58.59 2x4s s SER 13 Cb -0.15 -2.59 0.20 0.00 0.10 0.00 0.00 66.02 63.58 2x4s s SER 13 CO 0.04 -0.73 0.55 0.54 0.98 0.00 0.00 173.24 174.62 2x4s n ARG 14 N -0.35 1.70 -1.46 4.02 1.74 -1.26 -4.38 116.66 116.68 2x4s n ARG 14 Ca 0.06 -4.25 -0.46 0.00 -0.77 0.00 0.00 57.85 52.44 2x4s n ARG 14 Cb 0.49 -2.10 -0.09 0.00 -1.02 0.00 0.00 32.46 29.73 2x4s n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2x4s n PRO 15 N 1.73 0.57 0.00 5.56 -0.02 -1.26 -1.09 135.00 140.49 2x4s n PRO 15 Ca 0.24 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2x4s n PRO 15 Cb 0.40 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 2x4s n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x4s n GLY 16 N 6.56 2.85 2.14 -1.23 0.00 -1.26 -4.83 105.19 109.41 2x4s n GLY 16 Ca 0.50 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.25 2x4s n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x4s n ARG 17 N -0.78 2.31 0.00 1.61 1.74 -0.25 -5.02 116.66 116.27 2x4s n ARG 17 Ca 0.00 -2.58 0.00 0.00 -0.77 0.00 0.00 57.85 54.50 2x4s n ARG 17 Cb 0.00 -2.01 0.00 0.00 -1.02 0.00 0.00 32.46 29.43 2x4s n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x4s n GLY 18 N -0.44 -2.12 3.41 -0.13 0.00 -1.19 -4.89 105.19 99.82 2x4s n GLY 18 Ca 0.50 -2.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 2x4s n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2x4s n GLU 19 N -0.02 -1.58 -2.37 1.61 -0.58 -1.26 -4.34 120.64 112.09 2x4s n GLU 19 Ca 0.00 -0.43 -0.40 0.00 -0.42 0.00 0.00 57.16 55.90 2x4s n GLU 19 Cb 0.00 -1.96 -0.04 0.00 -0.57 0.00 0.00 31.44 28.88 2x4s n GLU 19 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 2x4s s PRO 20 N -3.93 4.55 0.41 3.49 0.02 -1.26 -4.13 135.00 134.15 2x4s s PRO 20 Ca 0.62 1.92 -0.24 0.00 0.02 0.00 0.00 61.00 63.32 2x4s s PRO 20 Cb -0.19 -3.16 -0.08 0.00 0.02 0.00 0.00 34.50 31.09 2x4s s PRO 20 CO 0.65 0.09 1.10 0.50 -0.33 0.00 0.00 177.00 179.01 2x4s s ARG 21 N -1.50 4.06 -0.08 5.54 3.52 0.58 -4.88 118.95 126.19 2x4s s ARG 21 Ca 0.46 1.66 -0.03 0.00 -0.13 0.00 0.00 55.73 57.68 2x4s s ARG 21 Cb -0.34 -2.57 0.05 0.00 -1.56 0.00 0.00 34.95 30.53 2x4s s ARG 21 CO 0.44 -0.26 0.17 0.12 -0.81 0.00 0.00 175.30 174.96 2x4s s PHE 22 N -1.56 -0.22 -0.13 5.12 5.36 -1.26 -1.64 117.98 123.65 2x4s s PHE 22 Ca 0.58 0.62 -0.01 0.00 -0.96 0.00 0.00 56.93 57.17 2x4s s PHE 22 Cb -0.26 -0.14 0.03 0.00 -0.34 0.00 0.00 43.02 42.32 2x4s s PHE 22 CO 0.32 -0.24 -0.06 0.42 -1.46 0.00 0.00 175.22 174.21 2x4s s ILE 23 N 1.76 0.96 -0.10 3.12 1.01 -0.75 -1.08 121.20 126.12 2x4s s ILE 23 Ca -0.03 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.29 2x4s s ILE 23 Cb -0.12 -1.06 -0.01 0.00 0.01 0.00 0.00 42.46 41.28 2x4s s ILE 23 CO -0.06 0.27 -0.18 0.00 0.00 0.00 0.00 174.94 174.97 2x4s s ALA 24 N 1.72 2.46 0.10 9.38 0.00 0.15 -1.42 121.76 134.15 2x4s s ALA 24 Ca 0.04 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.10 2x4s s ALA 24 Cb -0.13 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 2x4s s ALA 24 CO -0.08 0.34 -0.14 0.14 0.00 0.00 0.00 175.76 176.02 2x4s s VAL 25 N 0.07 1.25 -0.03 0.00 -7.23 -0.55 -0.55 120.40 113.36 2x4s s VAL 25 Ca -0.08 -1.56 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 2x4s s VAL 25 Cb -0.15 -1.36 0.02 0.00 0.56 0.00 0.00 36.38 35.46 2x4s s VAL 25 CO 0.05 -0.34 -0.01 -0.83 -0.31 0.00 0.00 175.10 173.66 2x4s s GLY 26 N -2.17 0.27 0.09 2.32 0.00 -1.02 -0.94 107.32 105.87 2x4s s GLY 26 Ca 0.05 0.12 0.09 0.00 0.00 0.00 0.00 44.72 44.97 2x4s s GLY 26 CO 0.03 0.52 -0.23 -0.19 0.00 0.00 0.00 173.10 173.23 2x4s s TYR 27 N 0.93 2.42 -0.23 1.90 2.02 0.05 -0.64 117.35 123.79 2x4s s TYR 27 Ca -0.10 -0.34 -0.07 0.00 -0.37 0.00 0.00 57.07 56.20 2x4s s TYR 27 Cb -0.13 -1.35 -0.03 0.00 -0.40 0.00 0.00 41.96 40.05 2x4s s TYR 27 CO -0.01 0.28 0.05 0.08 -1.57 0.00 0.00 175.55 174.38 2x4s s VAL 28 N -0.98 4.29 0.00 0.71 1.01 0.06 -1.62 120.40 123.87 2x4s s VAL 28 Ca 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2x4s s VAL 28 Cb -0.10 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.29 2x4s s VAL 28 CO 0.06 0.37 0.00 0.47 0.00 0.00 0.00 175.10 176.00 2x4s n ASP 29 N 4.62 0.00 -1.41 3.32 8.00 0.52 -1.20 116.55 130.40 2x4s n ASP 29 Ca -0.16 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.33 2x4s n ASP 29 Cb 0.52 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.88 2x4s n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2x4s n ASP 30 N 7.99 3.89 -4.13 -2.24 8.00 -1.26 -4.94 116.55 123.87 2x4s n ASP 30 Ca 0.00 -3.30 -0.33 0.00 0.71 0.00 0.00 54.79 51.87 2x4s n ASP 30 Cb 0.00 -0.65 -0.15 0.00 -0.02 0.00 0.00 41.12 40.30 2x4s n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2x4s s THR 31 N -3.01 2.29 0.17 -3.53 2.01 -0.34 -5.00 115.64 108.24 2x4s s THR 31 Ca 0.48 -1.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.05 2x4s s THR 31 Cb 0.40 -2.12 -0.08 0.00 0.01 0.00 0.00 72.50 70.71 2x4s s THR 31 CO 0.08 0.31 1.20 -1.58 -0.69 0.00 0.00 174.62 173.94 2x4s s GLN 32 N 1.25 4.49 0.00 4.92 0.74 -1.26 -0.76 119.66 129.04 2x4s s GLN 32 Ca 0.00 1.87 0.00 0.00 0.05 0.00 0.00 55.36 57.28 2x4s s GLN 32 Cb -0.16 -3.25 0.00 0.00 1.10 0.00 0.00 33.01 30.70 2x4s s GLN 32 CO -0.09 -0.10 0.00 1.97 -0.55 0.00 0.00 175.29 176.52 2x4s n PHE 33 N 2.62 0.00 -4.09 1.67 -1.74 0.18 -3.72 117.46 112.38 2x4s n PHE 33 Ca 0.05 0.00 -0.07 0.00 -0.56 0.00 0.00 57.45 56.87 2x4s n PHE 33 Cb 0.45 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.35 2x4s n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2x4s s VAL 34 N -1.68 0.22 0.09 1.97 -7.23 -1.20 0.81 120.40 113.38 2x4s s VAL 34 Ca 0.00 -1.81 -0.11 0.00 -1.81 0.00 0.00 61.98 58.25 2x4s s VAL 34 Cb 0.00 -1.54 0.01 0.00 0.56 0.00 0.00 36.38 35.41 2x4s s VAL 34 CO 0.00 -0.98 0.25 0.00 -0.31 0.00 0.00 175.10 174.06 2x4s s ARG 35 N -3.92 0.88 -0.14 4.82 1.70 0.19 -2.43 118.95 120.04 2x4s s ARG 35 Ca 0.08 -0.85 -0.04 0.00 -0.47 0.00 0.00 55.73 54.45 2x4s s ARG 35 Cb 0.08 0.37 0.07 0.00 -0.57 0.00 0.00 34.95 34.90 2x4s s ARG 35 CO -0.10 -0.30 0.25 0.12 -1.08 0.00 0.00 175.30 174.20 2x4s s PHE 36 N -3.66 -0.40 -0.17 5.89 5.36 0.29 -0.53 117.98 124.75 2x4s s PHE 36 Ca 0.03 0.85 -0.02 0.00 -0.96 0.00 0.00 56.93 56.83 2x4s s PHE 36 Cb 0.03 -0.09 -0.01 0.00 -0.34 0.00 0.00 43.02 42.61 2x4s s PHE 36 CO -0.10 -0.39 -0.10 0.34 -1.46 0.00 0.00 175.22 173.51 2x4s s ASP 37 N 2.40 4.11 0.56 6.13 -1.08 -1.26 -0.67 116.67 126.86 2x4s s ASP 37 Ca 0.03 -0.36 0.33 0.00 -0.52 0.00 0.00 52.55 52.03 2x4s s ASP 37 Cb -0.13 -1.66 1.66 0.00 -1.46 0.00 0.00 42.92 41.33 2x4s s ASP 37 CO -0.09 0.09 2.12 0.77 0.52 0.00 0.00 175.17 178.58 2x4s h SER 38 N 7.27 0.00 0.04 -0.34 4.64 -1.51 -1.02 113.55 122.62 2x4s h SER 38 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2x4s h SER 38 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2x4s h SER 38 CO 0.58 0.06 -0.13 0.47 -0.87 0.00 0.00 176.83 176.95 2x4s n ASP 39 N -3.37 1.85 -4.81 4.97 9.92 -1.26 -4.92 116.55 118.93 2x4s n ASP 39 Ca -0.01 -1.49 -0.34 0.00 -0.53 0.00 0.00 54.79 52.42 2x4s n ASP 39 Cb 0.22 0.10 -0.05 0.00 -0.64 0.00 0.00 41.12 40.75 2x4s n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2x4s s ALA 40 N -2.18 2.94 0.12 2.24 0.00 -0.39 -4.98 121.76 119.51 2x4s s ALA 40 Ca 0.29 0.52 -0.26 0.00 0.00 0.00 0.00 51.96 52.52 2x4s s ALA 40 Cb 0.20 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 2x4s s ALA 40 CO 0.40 -0.13 1.63 0.00 0.00 0.00 0.00 175.76 177.67 2x4s h ALA 41 N 1.71 -0.36 -0.97 0.00 0.00 -1.91 -3.22 119.26 114.51 2x4s h ALA 41 Ca -0.49 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.52 2x4s h ALA 41 Cb 1.20 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 19.37 2x4s h ALA 41 CO 0.60 -0.76 0.60 0.66 0.00 0.00 0.00 179.25 180.34 2x4s h SER 42 N -0.40 0.87 -3.34 0.00 4.64 -1.94 -3.45 113.55 109.93 2x4s h SER 42 Ca 0.06 0.05 -0.39 0.00 -0.47 0.00 0.00 61.79 61.04 2x4s h SER 42 Cb 0.49 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.46 2x4s h SER 42 CO -0.22 0.47 -0.53 0.00 -0.87 0.00 0.00 176.83 175.68 2x4s n GLN 43 N -4.65 -2.76 -4.39 4.77 1.13 -1.22 -5.01 117.38 105.25 2x4s n GLN 43 Ca 0.18 0.91 -0.20 0.00 -1.94 0.00 0.00 57.00 55.95 2x4s n GLN 43 Cb 0.34 -5.55 -0.10 0.00 0.11 0.00 0.00 30.24 25.03 2x4s n GLN 43 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2x4s s ARG 44 N -5.23 1.46 0.04 -1.09 3.52 -1.26 -5.07 118.95 111.32 2x4s s ARG 44 Ca 0.11 -1.71 -0.30 0.00 -0.13 0.00 0.00 55.73 53.69 2x4s s ARG 44 Cb -0.05 -1.08 -0.06 0.00 -1.56 0.00 0.00 34.95 32.21 2x4s s ARG 44 CO 0.14 0.06 1.31 1.41 -0.81 0.00 0.00 175.30 177.41 2x4s s MET 45 N -3.72 4.35 0.16 5.12 -2.45 -1.26 -4.67 119.30 116.83 2x4s s MET 45 Ca 0.27 1.89 0.08 0.00 -1.25 0.00 0.00 55.69 56.69 2x4s s MET 45 Cb 0.03 -3.42 -0.04 0.00 1.25 0.00 0.00 34.83 32.64 2x4s s MET 45 CO 0.10 -0.43 -0.09 -1.21 1.05 0.00 0.00 175.02 174.44 2x4s s GLU 46 N 1.65 2.08 0.70 4.11 2.02 0.31 -4.93 118.70 124.64 2x4s s GLU 46 Ca 0.61 -1.21 -0.11 0.00 0.02 0.00 0.00 54.97 54.28 2x4s s GLU 46 Cb -0.31 -2.20 0.01 0.00 0.10 0.00 0.00 34.13 31.74 2x4s s GLU 46 CO 0.28 0.45 1.08 -1.25 0.02 0.00 0.00 175.26 175.84 2x4s s PRO 47 N -2.70 2.86 0.00 0.39 0.04 -1.26 -0.64 135.00 133.69 2x4s s PRO 47 Ca 0.24 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.70 2x4s s PRO 47 Cb -0.09 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2x4s s PRO 47 CO 0.15 -1.01 0.00 0.54 0.04 0.00 0.00 177.00 176.72 2x4s n ARG 48 N -2.98 0.00 -4.23 4.56 5.12 0.24 -4.74 116.66 114.63 2x4s n ARG 48 Ca 0.07 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.70 2x4s n ARG 48 Cb 0.57 -0.01 -0.09 0.00 -1.16 0.00 0.00 32.46 31.77 2x4s n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2x4s s ALA 49 N 0.00 3.00 0.28 7.54 0.00 -1.17 -4.76 121.76 126.64 2x4s s ALA 49 Ca 0.00 -1.31 0.02 0.00 0.00 0.00 0.00 51.96 50.67 2x4s s ALA 49 Cb 0.00 -0.88 0.41 0.00 0.00 0.00 0.00 23.12 22.65 2x4s s ALA 49 CO 0.00 0.58 1.72 -1.35 0.00 0.00 0.00 175.76 176.71 2x4s h PRO 50 N 3.31 0.48 0.00 0.00 0.11 -1.94 -3.15 132.00 130.82 2x4s h PRO 50 Ca -0.48 -0.18 0.00 0.00 0.11 0.00 0.00 66.00 65.45 2x4s h PRO 50 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2x4s h PRO 50 CO 0.54 0.70 0.00 -2.67 -0.21 0.00 0.00 178.00 176.35 2x4s n TRP 51 N -4.12 0.23 0.70 0.65 4.27 -1.26 -2.64 117.44 115.26 2x4s n TRP 51 Ca -0.00 0.08 0.09 0.00 -3.89 0.00 0.00 57.50 53.77 2x4s n TRP 51 Cb 0.41 -0.63 -0.11 0.00 -1.36 0.00 0.00 31.31 29.62 2x4s n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 2x4s n ILE 52 N -1.70 0.00 -0.15 -1.67 0.13 -1.19 -4.48 119.36 110.30 2x4s n ILE 52 Ca 0.05 -0.14 -0.02 0.00 -1.10 0.00 0.00 62.75 61.53 2x4s n ILE 52 Cb 0.27 0.82 0.05 0.00 -0.84 0.00 0.00 39.64 39.94 2x4s n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 2x4s h GLU 53 N 0.00 0.10 -4.35 9.51 5.08 -1.55 -3.21 114.58 120.16 2x4s h GLU 53 Ca 0.00 -0.01 -0.76 0.00 -1.00 0.00 0.00 59.36 57.60 2x4s h GLU 53 Cb 0.52 -0.02 -0.21 0.00 0.50 0.00 0.00 28.75 29.53 2x4s h GLU 53 CO 0.00 0.07 0.96 -0.65 -1.00 0.00 0.00 179.01 178.38 2x4s s GLN 54 N -6.17 4.06 0.00 2.33 -1.52 -1.26 -4.57 119.66 112.53 2x4s s GLN 54 Ca -0.14 -2.71 0.00 0.00 -1.95 0.00 0.00 55.36 50.56 2x4s s GLN 54 Cb 0.16 -4.86 0.00 0.00 -0.22 0.00 0.00 33.01 28.09 2x4s s GLN 54 CO 0.72 -1.57 0.19 -1.91 -0.25 0.00 0.00 175.29 172.47 2x4s n GLU 55 N 4.69 1.89 0.00 2.91 4.07 -1.21 -5.11 120.64 127.87 2x4s n GLU 55 Ca 0.30 -0.19 0.00 0.00 -0.06 0.00 0.00 57.16 57.21 2x4s n GLU 55 Cb 0.42 -0.62 0.00 0.00 -0.06 0.00 0.00 31.44 31.18 2x4s n GLU 55 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2x4s n GLY 56 N 0.32 -1.09 0.30 8.31 0.00 -1.26 -4.26 105.19 107.51 2x4s n GLY 56 Ca 0.00 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 2x4s n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x4s h PRO 57 N 0.00 1.03 -0.96 1.61 0.13 -1.99 -2.96 132.00 128.85 2x4s h PRO 57 Ca 0.00 -0.33 0.17 0.00 -0.87 0.00 0.00 66.00 64.96 2x4s h PRO 57 Cb 0.00 -0.09 -0.10 0.00 0.13 0.00 0.00 31.00 30.94 2x4s h PRO 57 CO 0.00 1.02 0.57 1.49 -0.23 0.00 0.00 178.00 180.84 2x4s h GLU 58 N 0.93 0.75 -0.42 0.86 4.22 -1.99 0.29 114.58 119.22 2x4s h GLU 58 Ca 0.16 -0.04 -0.14 0.00 0.08 0.00 0.00 59.36 59.41 2x4s h GLU 58 Cb 0.58 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2x4s h GLU 58 CO 0.03 0.49 -0.30 -0.92 -2.18 0.00 0.00 179.01 176.14 2x4s h TYR 59 N 0.77 1.08 -0.18 0.92 3.20 -1.70 -1.52 116.97 119.53 2x4s h TYR 59 Ca 0.53 -0.29 -0.06 0.00 3.14 0.00 0.00 58.73 62.05 2x4s h TYR 59 Cb 0.75 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 2x4s h TYR 59 CO -0.03 1.10 -0.11 -1.49 -1.64 0.00 0.00 178.16 175.99 2x4s h TRP 60 N 0.78 0.47 -0.88 -3.82 -0.00 -0.98 -0.64 115.95 110.87 2x4s h TRP 60 Ca 0.08 -0.12 -0.01 0.00 -0.00 0.00 0.00 58.89 58.84 2x4s h TRP 60 Cb 0.88 -0.10 -0.04 0.00 -0.00 0.00 0.00 29.16 29.89 2x4s h TRP 60 CO 0.05 0.72 0.50 -0.44 -0.00 0.00 0.00 178.44 179.28 2x4s h ASP 61 N 0.07 1.09 0.86 -3.49 5.19 -0.52 0.22 116.42 119.85 2x4s h ASP 61 Ca 0.04 -0.09 -0.04 0.00 -0.62 0.00 0.00 57.03 56.32 2x4s h ASP 61 Cb 0.62 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.85 2x4s h ASP 61 CO 0.03 0.86 -0.48 1.23 -3.12 0.00 0.00 179.24 177.77 2x4s h GLY 62 N 1.24 -1.34 1.31 2.75 0.00 -1.16 -0.78 103.07 105.09 2x4s h GLY 62 Ca 0.31 0.53 -0.00 0.00 0.00 0.00 0.00 47.33 48.17 2x4s h GLY 62 CO -0.05 -0.47 0.41 0.83 0.00 0.00 0.00 176.54 177.26 2x4s h GLU 63 N -1.24 0.92 -0.28 4.80 4.39 -0.72 -1.10 114.58 121.34 2x4s h GLU 63 Ca -0.12 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.45 2x4s h GLU 63 Cb 0.97 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 2x4s h GLU 63 CO 0.15 0.64 -0.03 1.15 -1.16 0.00 0.00 179.01 179.76 2x4s h THR 64 N 0.93 1.27 -0.69 1.13 2.02 -0.57 0.26 112.91 117.27 2x4s h THR 64 Ca 0.24 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 2x4s h THR 64 Cb -0.04 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 2x4s h THR 64 CO -0.05 0.32 0.38 -0.09 0.37 0.00 0.00 175.52 176.46 2x4s h ARG 65 N 0.30 0.94 0.00 6.66 2.43 -0.29 -0.05 114.38 124.36 2x4s h ARG 65 Ca 0.08 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 2x4s h ARG 65 Cb 0.49 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2x4s h ARG 65 CO 0.02 0.68 -0.96 1.57 -1.51 0.00 0.00 179.97 179.78 2x4s h LYS 66 N 0.95 0.00 -0.01 0.20 2.10 -1.08 -2.95 116.57 115.79 2x4s h LYS 66 Ca 0.24 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.70 2x4s h LYS 66 Cb 0.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.33 2x4s h LYS 66 CO -0.04 0.10 -0.85 -0.24 -2.00 0.00 0.00 179.45 176.42 2x4s h VAL 67 N 0.00 1.47 -0.44 0.07 3.04 -0.58 -2.62 116.25 117.19 2x4s h VAL 67 Ca -0.04 -2.52 -0.09 0.00 -1.01 0.00 0.00 66.70 63.04 2x4s h VAL 67 Cb 1.17 2.40 -0.02 0.00 -2.01 0.00 0.00 31.29 32.83 2x4s h VAL 67 CO 0.02 0.74 -0.10 0.11 -1.01 0.00 0.00 177.57 177.33 2x4s h LYS 68 N 0.13 0.79 -0.26 4.17 1.57 -1.04 0.19 116.57 122.11 2x4s h LYS 68 Ca -0.04 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 2x4s h LYS 68 Cb 1.46 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.69 2x4s h LYS 68 CO 0.13 0.86 0.13 0.00 -0.57 0.00 0.00 179.45 180.00 2x4s h ALA 69 N 1.17 0.34 -0.66 3.86 0.00 -1.49 -0.93 119.26 121.55 2x4s h ALA 69 Ca 0.12 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.02 2x4s h ALA 69 Cb 0.58 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 2x4s h ALA 69 CO 0.04 -0.10 0.32 0.45 0.00 0.00 0.00 179.25 179.96 2x4s h HIS 70 N 0.29 0.57 0.25 0.00 3.86 -1.10 0.17 115.15 119.19 2x4s h HIS 70 Ca 0.09 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.34 2x4s h HIS 70 Cb 0.12 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.40 2x4s h HIS 70 CO -0.02 0.21 -0.42 1.03 0.86 0.00 0.00 177.93 179.59 2x4s h SER 71 N 0.56 -1.19 -0.74 2.45 0.87 -0.51 -0.64 113.55 114.34 2x4s h SER 71 Ca 0.32 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.99 2x4s h SER 71 Cb 0.33 0.43 -0.04 0.00 -0.44 0.00 0.00 62.40 62.68 2x4s h SER 71 CO -0.26 -0.52 0.41 -0.61 -0.53 0.00 0.00 176.83 175.32 2x4s h GLN 72 N -0.73 1.04 0.00 2.24 -0.00 -0.78 -1.03 115.11 115.85 2x4s h GLN 72 Ca -0.00 -0.12 0.03 0.00 -0.00 0.00 0.00 58.65 58.56 2x4s h GLN 72 Cb 0.71 -0.20 -0.05 0.00 0.00 0.00 0.00 27.48 27.94 2x4s h GLN 72 CO -0.17 0.77 -0.30 1.15 0.00 0.00 0.00 178.83 180.29 2x4s h THR 73 N 1.03 0.35 0.00 2.39 2.02 -0.41 -0.08 112.91 118.20 2x4s h THR 73 Ca 0.26 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.44 2x4s h THR 73 Cb 0.03 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2x4s h THR 73 CO -0.04 0.00 -0.00 0.45 0.37 0.00 0.00 175.52 176.29 2x4s h HIS 74 N -0.44 0.00 0.22 3.16 3.86 -0.71 0.75 115.15 121.98 2x4s h HIS 74 Ca 0.06 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 2x4s h HIS 74 Cb 0.53 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.00 2x4s h HIS 74 CO -0.32 0.00 -0.10 -0.09 0.86 0.00 0.00 177.93 178.28 2x4s h ARG 75 N 0.00 -0.28 -0.17 2.45 2.43 0.30 -2.05 114.38 117.05 2x4s h ARG 75 Ca -0.00 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.23 2x4s h ARG 75 Cb 0.07 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 2x4s h ARG 75 CO 0.00 0.05 -0.10 0.28 -1.51 0.00 0.00 179.97 178.69 2x4s h VAL 76 N -0.65 0.68 -0.95 0.20 2.07 -0.44 -2.98 116.25 114.18 2x4s h VAL 76 Ca -0.03 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.74 2x4s h VAL 76 Cb 0.46 0.68 -0.13 0.00 -1.52 0.00 0.00 31.29 30.79 2x4s h VAL 76 CO 0.05 0.00 0.49 0.44 0.02 0.00 0.00 177.57 178.57 2x4s h ASP 77 N -0.10 0.48 -0.74 0.57 3.32 -0.82 0.61 116.42 119.75 2x4s h ASP 77 Ca 0.10 0.15 0.02 0.00 0.02 0.00 0.00 57.03 57.33 2x4s h ASP 77 Cb 0.24 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 2x4s h ASP 77 CO -0.23 0.01 0.48 -0.07 -1.72 0.00 0.00 179.24 177.71 2x4s h LEU 78 N 0.45 0.81 -0.42 1.55 3.38 -1.21 -2.56 115.31 117.31 2x4s h LEU 78 Ca 0.62 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.53 2x4s h LEU 78 Cb 1.22 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2x4s h LEU 78 CO -0.52 0.57 0.09 1.23 0.09 0.00 0.00 178.44 179.90 2x4s h GLY 79 N 0.96 0.73 0.32 0.83 0.00 0.19 -2.59 103.07 103.51 2x4s h GLY 79 Ca 0.29 -0.47 0.04 0.00 0.00 0.00 0.00 47.33 47.19 2x4s h GLY 79 CO -0.09 0.43 -0.25 -0.84 0.00 0.00 0.00 176.54 175.80 2x4s h THR 80 N 0.55 0.42 0.00 4.70 2.02 -0.98 -2.97 112.91 116.65 2x4s h THR 80 Ca 0.13 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.20 2x4s h THR 80 Cb 0.33 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2x4s h THR 80 CO 0.00 0.00 -0.51 -0.07 0.37 0.00 0.00 175.52 175.31 2x4s h LEU 81 N -0.33 0.00 -1.68 2.58 3.38 -1.41 -0.43 115.31 117.41 2x4s h LEU 81 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2x4s h LEU 81 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2x4s h LEU 81 CO -0.28 0.51 -0.04 -0.09 0.09 0.00 0.00 178.44 178.63 2x4s h ARG 82 N 0.00 0.15 0.34 1.13 2.43 -1.38 -0.82 114.38 116.24 2x4s h ARG 82 Ca -0.01 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2x4s h ARG 82 Cb 0.94 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 2x4s h ARG 82 CO 0.07 0.20 -0.16 0.78 -1.51 0.00 0.00 179.97 179.35 2x4s h GLY 83 N 0.42 -0.47 -0.49 2.80 0.00 -0.97 -0.41 103.07 103.95 2x4s h GLY 83 Ca 0.04 0.18 0.32 0.00 0.00 0.00 0.00 47.33 47.86 2x4s h GLY 83 CO 0.01 -0.17 0.68 -0.97 0.00 0.00 0.00 176.54 176.08 2x4s h TYR 84 N -0.80 0.74 -0.19 5.60 0.05 -1.09 0.16 116.97 121.43 2x4s h TYR 84 Ca -0.05 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2x4s h TYR 84 Cb 0.35 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.89 2x4s h TYR 84 CO 0.04 -0.07 0.00 0.66 -1.05 0.00 0.00 178.16 177.73 2x4s n TYR 85 N -4.79 0.22 -3.67 4.88 4.02 -0.33 -4.91 117.16 112.58 2x4s n TYR 85 Ca 0.30 -0.11 -0.26 0.00 -0.01 0.00 0.00 57.90 57.82 2x4s n TYR 85 Cb 1.03 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 40.37 2x4s n TYR 85 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2x4s n ASN 86 N 1.35 -5.44 -4.51 7.72 5.15 0.55 -4.98 115.26 115.10 2x4s n ASN 86 Ca 0.17 -0.88 -0.26 0.00 -0.60 0.00 0.00 54.58 53.00 2x4s n ASN 86 Cb 0.59 -2.91 -0.10 0.00 -0.53 0.00 0.00 39.78 36.82 2x4s n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2x4s s GLN 87 N -5.36 1.83 0.43 1.20 -0.21 -0.23 -5.05 119.66 112.28 2x4s s GLN 87 Ca 0.25 -1.42 -0.24 0.00 0.02 0.00 0.00 55.36 53.97 2x4s s GLN 87 Cb -0.10 -2.00 -0.08 0.00 1.00 0.00 0.00 33.01 31.82 2x4s s GLN 87 CO 0.87 0.41 1.15 -1.54 -2.12 0.00 0.00 175.29 174.06 2x4s s SER 88 N -2.86 6.34 -0.00 5.90 1.04 -1.26 -4.82 113.70 118.04 2x4s s SER 88 Ca 0.24 2.29 0.00 0.00 0.48 0.00 0.00 55.95 58.96 2x4s s SER 88 Cb -0.08 -2.60 0.01 0.00 0.10 0.00 0.00 66.02 63.45 2x4s s SER 88 CO 0.13 -0.79 0.58 -1.84 0.98 0.00 0.00 173.24 172.30 2x4s n GLU 89 N -0.26 1.07 -0.10 4.02 0.28 -1.26 -3.57 120.64 120.81 2x4s n GLU 89 Ca 0.06 -0.06 -0.10 0.00 -0.16 0.00 0.00 57.16 56.90 2x4s n GLU 89 Cb 0.48 -1.45 -0.16 0.00 1.43 0.00 0.00 31.44 31.74 2x4s n GLU 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2x4s n ALA 90 N -0.05 1.50 -2.12 -1.84 0.00 -1.26 -4.82 120.51 111.92 2x4s n ALA 90 Ca 0.01 -1.33 -0.24 0.00 0.00 0.00 0.00 53.44 51.87 2x4s n ALA 90 Cb 0.24 -0.18 0.03 0.00 0.00 0.00 0.00 19.45 19.54 2x4s n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2x4s s GLY 91 N -5.54 1.64 -0.06 0.00 0.00 -1.23 -4.70 107.32 97.42 2x4s s GLY 91 Ca -0.11 -0.94 -0.06 0.00 0.00 0.00 0.00 44.72 43.61 2x4s s GLY 91 CO 0.82 -0.68 0.18 -0.45 0.00 0.00 0.00 173.10 172.97 2x4s s SER 92 N -4.33 6.42 0.04 1.64 0.15 -1.26 -4.62 113.70 111.74 2x4s s SER 92 Ca 0.54 0.46 -0.00 0.00 0.70 0.00 0.00 55.95 57.64 2x4s s SER 92 Cb -0.10 -2.06 -0.03 0.00 -1.71 0.00 0.00 66.02 62.12 2x4s s SER 92 CO 0.42 0.33 -0.04 -1.00 1.20 0.00 0.00 173.24 174.15 2x4s s HIS 93 N -1.18 0.46 -0.08 3.44 3.76 -1.26 -4.95 115.29 115.48 2x4s s HIS 93 Ca 0.22 -0.79 0.04 0.00 -0.15 0.00 0.00 55.06 54.38 2x4s s HIS 93 Cb -0.13 -0.32 -0.01 0.00 1.11 0.00 0.00 32.58 33.23 2x4s s HIS 93 CO 0.11 -0.26 -0.21 0.99 -0.85 0.00 0.00 174.74 174.53 2x4s s THR 94 N -2.67 2.39 -0.18 1.30 2.01 -1.26 -1.68 115.64 115.56 2x4s s THR 94 Ca -0.03 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 61.03 2x4s s THR 94 Cb -0.01 -1.92 -0.00 0.00 0.01 0.00 0.00 72.50 70.58 2x4s s THR 94 CO -0.05 0.56 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.63 2x4s s VAL 95 N -0.03 2.85 0.01 3.82 1.01 0.48 0.13 120.40 128.67 2x4s s VAL 95 Ca -0.06 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.31 2x4s s VAL 95 Cb -0.15 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 2x4s s VAL 95 CO 0.05 0.49 -0.24 -1.10 0.00 0.00 0.00 175.10 174.30 2x4s s GLN 96 N 1.06 1.82 -0.05 2.72 -0.21 -0.52 -0.42 119.66 124.06 2x4s s GLN 96 Ca -0.00 -0.94 -0.04 0.00 0.02 0.00 0.00 55.36 54.40 2x4s s GLN 96 Cb -0.15 -1.85 0.01 0.00 1.00 0.00 0.00 33.01 32.03 2x4s s GLN 96 CO -0.03 0.49 0.12 0.50 -2.12 0.00 0.00 175.29 174.26 2x4s s ARG 97 N -0.84 0.14 -0.01 2.91 3.52 0.10 -0.56 118.95 124.22 2x4s s ARG 97 Ca 0.10 0.18 0.00 0.00 -0.13 0.00 0.00 55.73 55.88 2x4s s ARG 97 Cb -0.09 0.05 0.01 0.00 -1.56 0.00 0.00 34.95 33.36 2x4s s ARG 97 CO 0.00 -0.03 -0.01 1.41 -0.81 0.00 0.00 175.30 175.87 2x4s s MET 98 N 0.13 0.17 0.05 5.12 1.75 -0.75 0.51 119.30 126.28 2x4s s MET 98 Ca -0.01 0.02 -0.10 0.00 -1.25 0.00 0.00 55.69 54.35 2x4s s MET 98 Cb -0.02 -0.27 0.01 0.00 2.84 0.00 0.00 34.83 37.39 2x4s s MET 98 CO -0.00 -0.05 0.22 1.52 -0.65 0.00 0.00 175.02 176.06 2x4s s TYR 99 N 0.46 0.03 -0.94 4.11 -0.85 -0.50 -1.24 117.35 118.42 2x4s s TYR 99 Ca -0.04 -0.25 0.00 0.00 -0.52 0.00 0.00 57.07 56.26 2x4s s TYR 99 Cb -0.07 -0.01 0.00 0.00 0.38 0.00 0.00 41.96 42.27 2x4s s TYR 99 CO -0.01 -0.46 0.00 0.41 -1.52 0.00 0.00 175.55 173.97 2x4s n GLY 100 N 0.60 -1.34 3.16 5.49 0.00 -0.84 -0.21 105.19 112.05 2x4s n GLY 100 Ca -0.18 -0.97 -0.17 0.00 0.00 0.00 0.00 46.02 44.70 2x4s n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x4s s ASP 102 N -1.85 4.93 0.10 0.00 1.01 0.41 -1.03 116.67 120.25 2x4s s ASP 102 Ca -0.02 -0.17 0.06 0.00 0.71 0.00 0.00 52.55 53.13 2x4s s ASP 102 Cb -0.09 -1.17 -0.03 0.00 1.01 0.00 0.00 42.92 42.64 2x4s s ASP 102 CO 0.02 0.20 -0.16 0.68 0.21 0.00 0.00 175.17 176.11 2x4s s VAL 103 N -1.24 1.40 0.00 -1.27 -7.23 0.21 -1.42 120.40 110.85 2x4s s VAL 103 Ca 0.24 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 2x4s s VAL 103 Cb -0.12 -1.42 0.00 0.00 0.56 0.00 0.00 36.38 35.41 2x4s s VAL 103 CO 0.16 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 2x4s n GLY 104 N 0.88 -0.17 0.28 2.32 0.00 -0.90 0.20 105.19 107.80 2x4s n GLY 104 Ca -0.18 -1.79 0.01 0.00 0.00 0.00 0.00 46.02 44.06 2x4s n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2x4s h SER 105 N 0.00 0.49 -0.00 1.61 0.02 -1.88 -1.52 113.55 112.26 2x4s h SER 105 Ca 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2x4s h SER 105 Cb 0.00 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2x4s h SER 105 CO 0.00 0.51 0.00 -0.90 -1.14 0.00 0.00 176.83 175.30 2x4s n ASP 106 N -4.33 0.05 -1.44 3.07 5.75 -1.26 -4.73 116.55 113.67 2x4s n ASP 106 Ca 0.02 -1.29 -0.17 0.00 -0.01 0.00 0.00 54.79 53.34 2x4s n ASP 106 Cb 0.20 -0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.22 2x4s n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2x4s n TRP 107 N -0.83 -0.13 -3.79 2.11 7.02 -0.57 -4.99 117.44 116.25 2x4s n TRP 107 Ca 0.17 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.37 2x4s n TRP 107 Cb 0.09 -3.06 -0.03 0.00 -2.42 0.00 0.00 31.31 25.89 2x4s n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2x4s s ARG 108 N -3.70 3.50 0.27 -0.99 0.52 -1.26 -4.80 118.95 112.49 2x4s s ARG 108 Ca 0.00 -0.39 -0.28 0.00 -0.52 0.00 0.00 55.73 54.54 2x4s s ARG 108 Cb 0.00 -2.91 -0.14 0.00 0.52 0.00 0.00 34.95 32.42 2x4s s ARG 108 CO 0.00 0.47 0.96 0.34 0.02 0.00 0.00 175.30 177.10 2x4s n PHE 109 N -0.38 1.07 0.01 -0.53 7.35 -1.26 -2.12 117.46 121.59 2x4s n PHE 109 Ca -0.05 0.73 -0.01 0.00 -0.76 0.00 0.00 57.45 57.37 2x4s n PHE 109 Cb 0.53 -2.22 -0.00 0.00 0.35 0.00 0.00 39.48 38.14 2x4s n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2x4s n LEU 110 N 1.37 0.60 -3.82 -2.13 7.94 -0.51 -4.73 117.00 115.73 2x4s n LEU 110 Ca 0.11 0.08 -0.09 0.00 -1.11 0.00 0.00 56.01 55.00 2x4s n LEU 110 Cb 0.31 -0.25 -0.04 0.00 0.53 0.00 0.00 43.42 43.97 2x4s n LEU 110 CO 0.60 -0.58 0.29 0.00 -1.11 0.00 0.00 177.39 176.59 2x4s s ARG 111 N -1.55 1.50 0.07 1.96 1.70 -1.20 -5.00 118.95 116.42 2x4s s ARG 111 Ca -0.03 -0.98 -0.00 0.00 -0.47 0.00 0.00 55.73 54.25 2x4s s ARG 111 Cb 0.00 0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 34.87 2x4s s ARG 111 CO 0.04 -0.64 -0.03 0.20 -1.08 0.00 0.00 175.30 173.78 2x4s s GLY 112 N -2.91 0.57 0.03 3.88 0.00 -1.26 -0.44 107.32 107.18 2x4s s GLY 112 Ca 0.13 -1.26 -0.20 0.00 0.00 0.00 0.00 44.72 43.39 2x4s s GLY 112 CO 0.02 -1.35 0.45 -2.52 0.00 0.00 0.00 173.10 169.69 2x4s s TYR 113 N -3.86 -0.33 -0.30 1.90 -0.85 -0.91 -4.83 117.35 108.17 2x4s s TYR 113 Ca 0.09 0.36 -0.08 0.00 -0.52 0.00 0.00 57.07 56.92 2x4s s TYR 113 Cb 0.07 0.25 0.17 0.00 0.38 0.00 0.00 41.96 42.84 2x4s s TYR 113 CO -0.08 -0.58 0.76 -1.58 -1.52 0.00 0.00 175.55 172.55 2x4s s HIS 114 N -2.28 -1.19 0.01 -3.49 2.46 -1.26 -1.98 115.29 107.56 2x4s s HIS 114 Ca -0.06 1.56 -0.02 0.00 0.47 0.00 0.00 55.06 57.01 2x4s s HIS 114 Cb -0.01 0.53 -0.01 0.00 -0.13 0.00 0.00 32.58 32.96 2x4s s HIS 114 CO -0.01 -0.63 0.02 -0.65 -2.47 0.00 0.00 174.74 171.00 2x4s s GLN 115 N 2.82 0.29 0.22 2.88 -0.21 -0.37 -1.00 119.66 124.28 2x4s s GLN 115 Ca 0.07 -0.41 0.11 0.00 0.02 0.00 0.00 55.36 55.15 2x4s s GLN 115 Cb -0.12 0.11 -0.05 0.00 1.00 0.00 0.00 33.01 33.95 2x4s s GLN 115 CO -0.18 -0.05 -0.18 0.71 -2.12 0.00 0.00 175.29 173.47 2x4s s TYR 116 N -1.09 2.39 -0.12 0.91 1.51 -0.08 -1.81 117.35 119.07 2x4s s TYR 116 Ca -0.12 -0.31 -0.05 0.00 -1.01 0.00 0.00 57.07 55.58 2x4s s TYR 116 Cb -0.07 -1.13 0.06 0.00 -0.11 0.00 0.00 41.96 40.71 2x4s s TYR 116 CO -0.00 0.58 0.24 0.00 -1.11 0.00 0.00 175.55 175.26 2x4s s ALA 117 N -1.98 -0.50 -0.19 3.71 0.00 0.28 -1.64 121.76 121.43 2x4s s ALA 117 Ca 0.25 0.90 -0.17 0.00 0.00 0.00 0.00 51.96 52.93 2x4s s ALA 117 Cb -0.07 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 2x4s s ALA 117 CO 0.13 -0.51 0.46 -0.47 0.00 0.00 0.00 175.76 175.38 2x4s s TYR 118 N 2.08 3.39 -1.36 0.00 5.04 -0.17 -1.44 117.35 124.89 2x4s s TYR 118 Ca -0.01 0.72 -0.02 0.00 -2.44 0.00 0.00 57.07 55.31 2x4s s TYR 118 Cb -0.12 -2.60 0.01 0.00 0.35 0.00 0.00 41.96 39.61 2x4s s TYR 118 CO -0.08 -0.04 0.68 -0.25 -1.34 0.00 0.00 175.55 174.53 2x4s n ASP 119 N 4.54 -1.48 -0.82 4.32 8.00 0.12 -2.02 116.55 129.22 2x4s n ASP 119 Ca -0.06 -0.85 -0.11 0.00 0.71 0.00 0.00 54.79 54.48 2x4s n ASP 119 Cb 0.51 -3.84 -0.04 0.00 -0.02 0.00 0.00 41.12 37.72 2x4s n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x4s n GLY 120 N -1.66 1.16 3.05 0.44 0.00 -1.26 -4.99 105.19 101.93 2x4s n GLY 120 Ca -0.26 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 2x4s n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x4s s LYS 121 N -2.94 0.52 0.25 1.61 2.20 -0.86 -5.10 119.74 115.42 2x4s s LYS 121 Ca 0.00 -0.67 -0.31 0.00 -0.36 0.00 0.00 55.97 54.63 2x4s s LYS 121 Cb 0.00 -0.32 -0.14 0.00 -1.51 0.00 0.00 37.83 35.87 2x4s s LYS 121 CO 0.00 0.06 1.35 -0.25 -0.36 0.00 0.00 175.35 176.15 2x4s n ASP 122 N 1.69 2.53 0.05 1.43 8.00 -1.26 -0.99 116.55 127.99 2x4s n ASP 122 Ca -0.21 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.44 2x4s n ASP 122 Cb 0.55 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.25 2x4s n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x4s n TYR 123 N 1.59 -0.12 -3.72 1.24 9.36 -0.65 -4.71 117.16 120.16 2x4s n TYR 123 Ca 0.11 0.02 -0.14 0.00 3.32 0.00 0.00 57.90 61.21 2x4s n TYR 123 Cb 0.31 0.03 -0.09 0.00 -0.63 0.00 0.00 39.34 38.97 2x4s n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2x4s s ILE 124 N -1.83 0.03 -0.08 2.97 2.07 -1.23 -1.57 121.20 121.56 2x4s s ILE 124 Ca 0.00 -0.27 -0.07 0.00 -1.41 0.00 0.00 60.65 58.90 2x4s s ILE 124 Cb 0.00 -0.66 0.02 0.00 0.13 0.00 0.00 42.46 41.96 2x4s s ILE 124 CO 0.00 -0.15 0.21 0.00 -1.91 0.00 0.00 174.94 173.09 2x4s s ALA 125 N -0.85 -0.52 0.30 1.50 0.00 -0.98 -0.90 121.76 120.31 2x4s s ALA 125 Ca -0.09 0.62 -0.29 0.00 0.00 0.00 0.00 51.96 52.20 2x4s s ALA 125 Cb -0.04 -0.37 -0.10 0.00 0.00 0.00 0.00 23.12 22.61 2x4s s ALA 125 CO 0.04 -0.11 1.27 -1.17 0.00 0.00 0.00 175.76 175.79 2x4s s LEU 126 N 0.22 4.45 0.46 0.00 2.96 -0.17 -0.60 118.68 126.01 2x4s s LEU 126 Ca -0.01 2.56 -0.02 0.00 -0.22 0.00 0.00 54.13 56.44 2x4s s LEU 126 Cb -0.02 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 2x4s s LEU 126 CO -0.01 -0.46 0.72 -0.54 -1.32 0.00 0.00 176.35 174.74 2x4s s LYS 127 N -1.42 3.25 0.27 1.98 1.02 0.70 -4.60 119.74 120.94 2x4s s LYS 127 Ca 0.50 -0.19 0.06 0.00 0.02 0.00 0.00 55.97 56.36 2x4s s LYS 127 Cb -0.38 -2.48 0.77 0.00 -0.52 0.00 0.00 37.83 35.23 2x4s s LYS 127 CO 0.48 -0.24 1.29 0.39 -0.92 0.00 0.00 175.35 176.35 2x4s n GLU 128 N -2.16 -0.06 0.00 1.68 1.02 -1.26 1.00 120.64 120.86 2x4s n GLU 128 Ca 0.00 1.20 0.08 0.00 -0.02 0.00 0.00 57.16 58.43 2x4s n GLU 128 Cb 0.57 -1.98 0.43 0.00 -0.02 0.00 0.00 31.44 30.43 2x4s n GLU 128 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2x4s n ASP 129 N -5.08 0.00 -3.59 1.62 5.68 -1.26 -4.81 116.55 109.11 2x4s n ASP 129 Ca 0.23 0.05 -0.25 0.00 -0.50 0.00 0.00 54.79 54.31 2x4s n ASP 129 Cb 0.76 -0.29 0.06 0.00 -1.14 0.00 0.00 41.12 40.51 2x4s n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2x4s n LEU 130 N -1.29 -2.99 0.00 -2.12 4.77 0.28 -4.78 117.00 110.87 2x4s n LEU 130 Ca 0.08 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 2x4s n LEU 130 Cb 0.14 -2.87 0.00 0.00 -2.33 0.00 0.00 43.42 38.36 2x4s n LEU 130 CO 0.13 0.52 0.00 0.54 -1.33 0.00 0.00 177.39 177.25 2x4s n ARG 131 N -4.73 1.68 -4.37 3.23 1.74 -1.26 -4.45 116.66 108.50 2x4s n ARG 131 Ca -0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 2x4s n ARG 131 Cb 0.56 -0.14 -0.13 0.00 -1.02 0.00 0.00 32.46 31.73 2x4s n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2x4s s SER 132 N 0.00 3.16 0.22 0.55 1.04 -1.26 -4.88 113.70 112.52 2x4s s SER 132 Ca 0.00 -0.75 0.08 0.00 0.48 0.00 0.00 55.95 55.76 2x4s s SER 132 Cb 0.00 -0.21 -0.04 0.00 0.10 0.00 0.00 66.02 65.87 2x4s s SER 132 CO 0.00 0.14 0.00 0.26 0.98 0.00 0.00 173.24 174.63 2x4s s TRP 133 N -1.17 2.78 -0.29 5.02 0.52 -1.26 -0.22 118.94 124.32 2x4s s TRP 133 Ca 0.13 -0.18 0.03 0.00 0.02 0.00 0.00 56.10 56.10 2x4s s TRP 133 Cb -0.10 -1.29 0.08 0.00 -1.15 0.00 0.00 33.47 31.01 2x4s s TRP 133 CO 0.06 0.56 -0.01 0.99 0.02 0.00 0.00 176.95 178.57 2x4s s THR 134 N -2.00 1.98 -0.06 2.01 2.01 0.23 -4.90 115.64 114.91 2x4s s THR 134 Ca 0.29 -1.85 -0.23 0.00 0.31 0.00 0.00 61.69 60.21 2x4s s THR 134 Cb -0.08 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 2x4s s THR 134 CO 0.19 -0.35 0.69 0.00 -0.69 0.00 0.00 174.62 174.46 2x4s s ALA 135 N 1.12 3.35 -0.20 7.40 0.00 -1.26 -2.32 121.76 129.84 2x4s s ALA 135 Ca 0.02 0.13 0.20 0.00 0.00 0.00 0.00 51.96 52.30 2x4s s ALA 135 Cb -0.19 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 2x4s s ALA 135 CO -0.08 -0.07 1.05 0.00 0.00 0.00 0.00 175.76 176.65 2x4s h ALA 136 N 6.63 0.61 -2.72 0.00 0.00 -1.57 -3.46 119.26 118.75 2x4s h ALA 136 Ca -0.41 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 2x4s h ALA 136 Cb 1.20 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2x4s h ALA 136 CO 0.75 0.38 -0.01 -0.40 0.00 0.00 0.00 179.25 179.97 2x4s n ASP 137 N -2.84 -0.12 -0.14 0.00 5.68 -1.26 -5.04 116.55 112.83 2x4s n ASP 137 Ca -0.03 -1.18 -0.09 0.00 -0.50 0.00 0.00 54.79 52.99 2x4s n ASP 137 Cb 0.67 0.23 -0.01 0.00 -1.14 0.00 0.00 41.12 40.87 2x4s n ASP 137 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 2x4s h MET 138 N 0.00 0.61 -0.91 0.11 1.85 -1.98 -1.82 114.93 112.79 2x4s h MET 138 Ca -0.03 -0.13 -0.01 0.00 -0.61 0.00 0.00 59.70 58.93 2x4s h MET 138 Cb 0.11 -0.09 -0.04 0.00 0.43 0.00 0.00 31.60 32.01 2x4s h MET 138 CO 0.03 0.61 0.54 0.00 -0.40 0.00 0.00 176.91 177.69 2x4s h ALA 139 N 0.97 1.24 -0.31 0.39 0.00 -1.98 -1.54 119.26 118.03 2x4s h ALA 139 Ca 0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2x4s h ALA 139 Cb 0.25 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2x4s h ALA 139 CO -0.00 0.65 -0.00 0.00 0.00 0.00 0.00 179.25 179.89 2x4s h ALA 140 N 1.33 1.42 -0.59 0.00 0.00 -1.77 -2.30 119.26 117.35 2x4s h ALA 140 Ca 0.32 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2x4s h ALA 140 Cb -0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2x4s h ALA 140 CO -0.06 0.41 0.36 1.96 0.00 0.00 0.00 179.25 181.92 2x4s h GLN 141 N 0.46 0.70 0.11 0.00 1.08 -0.43 -0.70 115.11 116.34 2x4s h GLN 141 Ca 0.10 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.27 2x4s h GLN 141 Cb 0.30 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2x4s h GLN 141 CO 0.01 0.46 -0.12 1.15 -0.95 0.00 0.00 178.83 179.38 2x4s h THR 142 N 0.72 0.72 -1.00 -0.54 2.02 -1.04 -0.39 112.91 113.41 2x4s h THR 142 Ca 0.23 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.55 2x4s h THR 142 Cb 0.01 0.72 -0.09 0.00 -1.74 0.00 0.00 68.15 67.05 2x4s h THR 142 CO -0.09 0.00 0.62 0.74 0.37 0.00 0.00 175.52 177.16 2x4s h THR 143 N -0.27 0.88 -0.74 3.16 2.02 -1.29 -1.02 112.91 115.65 2x4s h THR 143 Ca 0.01 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 66.82 2x4s h THR 143 Cb 0.26 -0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.49 2x4s h THR 143 CO -0.04 0.17 0.28 0.50 0.37 0.00 0.00 175.52 176.79 2x4s h LYS 144 N 0.94 1.11 -0.22 6.66 3.64 -0.09 0.20 116.57 128.82 2x4s h LYS 144 Ca 0.51 -0.21 -0.12 0.00 -1.27 0.00 0.00 60.65 59.56 2x4s h LYS 144 Cb 0.56 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2x4s h LYS 144 CO -0.29 0.92 -0.36 0.45 -2.27 0.00 0.00 179.45 177.91 2x4s h HIS 145 N 1.07 0.55 -0.31 1.91 3.86 -0.42 -0.70 115.15 121.11 2x4s h HIS 145 Ca 0.24 -0.14 -0.08 0.00 -1.16 0.00 0.00 60.37 59.23 2x4s h HIS 145 Cb 0.24 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 2x4s h HIS 145 CO 0.02 0.77 -0.16 -0.22 0.86 0.00 0.00 177.93 179.20 2x4s h LYS 146 N 0.40 0.55 0.08 2.45 3.64 -0.37 -2.22 116.57 121.10 2x4s h LYS 146 Ca 0.04 -0.18 -0.31 0.00 -1.27 0.00 0.00 60.65 58.93 2x4s h LYS 146 Cb 0.82 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 2x4s h LYS 146 CO 0.07 0.69 -1.69 -1.49 -2.27 0.00 0.00 179.45 174.76 2x4s h TRP 147 N 0.50 0.29 -0.35 1.91 4.06 -0.75 -2.90 115.95 118.71 2x4s h TRP 147 Ca 0.09 -0.21 -0.01 0.00 2.06 0.00 0.00 58.89 60.81 2x4s h TRP 147 Cb 0.56 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.69 2x4s h TRP 147 CO 0.02 1.35 0.16 0.93 -3.56 0.00 0.00 178.44 177.34 2x4s h GLU 148 N 0.04 0.49 0.44 0.49 5.08 -1.13 -1.54 114.58 118.45 2x4s h GLU 148 Ca -0.30 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 2x4s h GLU 148 Cb 2.01 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.17 2x4s h GLU 148 CO 0.11 0.39 -0.21 0.00 -1.00 0.00 0.00 179.01 178.31 2x4s h ALA 149 N 1.69 -0.59 -0.08 3.43 0.00 -1.37 -2.98 119.26 119.35 2x4s h ALA 149 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2x4s h ALA 149 Cb 0.07 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2x4s h ALA 149 CO -0.02 -0.79 0.00 0.00 0.00 0.00 0.00 179.25 178.45 2x4s n ALA 150 N -2.40 2.49 -1.63 0.00 0.00 -1.10 -4.85 120.51 113.02 2x4s n ALA 150 Ca -0.11 -0.14 -0.19 0.00 0.00 0.00 0.00 53.44 52.99 2x4s n ALA 150 Cb 0.27 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 18.65 2x4s n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2x4s n HIS 151 N -0.25 -0.18 -0.19 0.00 -0.00 -0.87 -4.86 115.22 108.86 2x4s n HIS 151 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 2x4s n HIS 151 Cb 0.08 -3.31 0.03 0.00 -0.00 0.00 0.00 29.99 26.79 2x4s n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2x4s n VAL 152 N -2.41 -0.26 0.40 1.59 0.31 -0.64 -0.37 118.33 116.96 2x4s n VAL 152 Ca -0.19 1.18 0.12 0.00 -0.01 0.00 0.00 64.34 65.44 2x4s n VAL 152 Cb 0.63 -1.57 0.50 0.00 -0.91 0.00 0.00 33.84 32.49 2x4s n VAL 152 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2x4s h ALA 153 N 0.77 1.00 0.04 3.52 0.00 -1.89 -1.98 119.26 120.72 2x4s h ALA 153 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.85 2x4s h ALA 153 Cb 0.32 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.12 2x4s h ALA 153 CO -0.51 0.00 -1.06 0.93 0.00 0.00 0.00 179.25 178.61 2x4s h GLU 154 N 0.00 0.50 -0.22 0.00 3.07 -0.98 -2.61 114.58 114.34 2x4s h GLU 154 Ca 0.00 -0.59 -0.21 0.00 -0.50 0.00 0.00 59.36 58.06 2x4s h GLU 154 Cb 0.40 0.18 0.01 0.00 -0.84 0.00 0.00 28.75 28.49 2x4s h GLU 154 CO 0.00 1.22 -0.67 1.96 -1.40 0.00 0.00 179.01 180.12 2x4s h GLN 155 N 0.25 0.84 0.54 2.33 4.20 -1.43 -3.03 115.11 118.81 2x4s h GLN 155 Ca -0.12 -0.61 -0.02 0.00 0.06 0.00 0.00 58.65 57.97 2x4s h GLN 155 Cb 1.72 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 29.58 2x4s h GLN 155 CO 0.19 1.23 -0.44 -0.07 -0.67 0.00 0.00 178.83 179.07 2x4s h LEU 156 N 0.61 -1.17 -1.31 1.46 3.38 -1.45 -2.16 115.31 114.67 2x4s h LEU 156 Ca -0.02 0.09 0.33 0.00 0.09 0.00 0.00 57.88 58.36 2x4s h LEU 156 Cb 1.29 0.37 -0.11 0.00 0.09 0.00 0.00 40.66 42.30 2x4s h LEU 156 CO 0.14 -0.63 0.71 -0.09 0.09 0.00 0.00 178.44 178.66 2x4s h ARG 157 N -0.97 0.28 0.00 1.13 2.43 -1.53 0.40 114.38 116.13 2x4s h ARG 157 Ca -0.06 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 58.99 2x4s h ARG 157 Cb 0.82 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 2x4s h ARG 157 CO -0.01 0.19 -0.48 0.00 -1.51 0.00 0.00 179.97 178.16 2x4s h ALA 158 N 1.65 0.95 0.03 2.80 0.00 -1.31 0.68 119.26 124.05 2x4s h ALA 158 Ca 0.69 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2x4s h ALA 158 Cb 1.86 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2x4s h ALA 158 CO -0.39 0.61 -0.01 -0.92 0.00 0.00 0.00 179.25 178.53 2x4s h TYR 159 N 0.00 -0.03 -0.11 0.00 3.20 0.26 -3.12 116.97 117.17 2x4s h TYR 159 Ca -0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 2x4s h TYR 159 Cb 1.02 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 2x4s h TYR 159 CO 0.00 0.68 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.97 2x4s h LEU 160 N -0.90 0.17 0.00 2.82 3.38 -0.66 0.19 115.31 120.31 2x4s h LEU 160 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2x4s h LEU 160 Cb 0.73 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2x4s h LEU 160 CO 0.01 0.35 -0.79 -0.62 0.09 0.00 0.00 178.44 177.47 2x4s n GLU 161 N -4.26 0.21 0.00 1.13 1.02 0.23 -4.18 120.64 114.78 2x4s n GLU 161 Ca -0.01 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2x4s n GLU 161 Cb 0.28 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 2x4s n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x4s n GLY 162 N 1.39 0.44 0.33 0.62 0.00 -1.08 -4.70 105.19 102.19 2x4s n GLY 162 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 2x4s n GLY 162 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2x4s n THR 163 N -0.19 -0.42 0.14 2.61 -1.04 -1.10 0.10 114.28 114.38 2x4s n THR 163 Ca 0.00 2.02 -0.14 0.00 -2.04 0.00 0.00 64.05 63.89 2x4s n THR 163 Cb 0.00 -2.71 -0.07 0.00 -1.82 0.00 0.00 70.33 65.72 2x4s n THR 163 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2x4s h VAL 165 N -0.29 1.28 -0.64 0.00 -1.51 -1.15 -0.47 116.25 113.47 2x4s h VAL 165 Ca -0.02 -1.07 0.12 0.00 -1.23 0.00 0.00 66.70 64.51 2x4s h VAL 165 Cb 0.24 1.43 -0.12 0.00 -2.13 0.00 0.00 31.29 30.71 2x4s h VAL 165 CO 0.03 0.34 -0.22 -0.08 -1.23 0.00 0.00 177.57 176.41 2x4s h GLU 166 N 0.26 -0.05 -0.03 5.19 4.81 0.88 -1.28 114.58 124.35 2x4s h GLU 166 Ca 0.07 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.14 2x4s h GLU 166 Cb 0.53 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2x4s h GLU 166 CO 0.03 -0.04 -0.71 -1.49 -0.73 0.00 0.00 179.01 176.07 2x4s h TRP 167 N -0.06 0.26 -0.67 0.92 4.06 -0.60 -2.79 115.95 117.08 2x4s h TRP 167 Ca 0.29 -0.12 -0.02 0.00 2.06 0.00 0.00 58.89 61.11 2x4s h TRP 167 Cb 0.51 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.60 2x4s h TRP 167 CO -0.57 0.84 0.35 1.25 -3.56 0.00 0.00 178.44 176.75 2x4s h LEU 168 N 0.13 0.85 -0.76 -4.49 5.85 -0.53 -0.71 115.31 115.64 2x4s h LEU 168 Ca -0.02 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 2x4s h LEU 168 Cb 1.26 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 2x4s h LEU 168 CO 0.11 0.71 -0.02 0.03 -0.34 0.00 0.00 178.44 178.92 2x4s h ARG 169 N 0.92 0.92 0.52 1.25 3.08 -1.18 0.49 114.38 120.38 2x4s h ARG 169 Ca 0.23 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2x4s h ARG 169 Cb 0.06 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 2x4s h ARG 169 CO -0.04 0.93 -0.29 -0.09 -1.07 0.00 0.00 179.97 179.41 2x4s h ARG 170 N 0.84 -0.73 -0.56 0.04 2.43 -1.19 -1.76 114.38 113.45 2x4s h ARG 170 Ca 0.15 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.47 2x4s h ARG 170 Cb 0.53 0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 30.17 2x4s h ARG 170 CO 0.03 -0.49 0.11 1.88 -1.51 0.00 0.00 179.97 179.99 2x4s h TYR 171 N -0.76 0.17 0.00 2.20 0.05 -0.93 -0.10 116.97 117.60 2x4s h TYR 171 Ca -0.07 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 2x4s h TYR 171 Cb 0.60 0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.35 2x4s h TYR 171 CO -0.07 -0.03 -0.09 -0.07 -1.05 0.00 0.00 178.16 176.85 2x4s h LEU 172 N 0.24 0.00 0.13 3.88 3.38 -0.69 0.11 115.31 122.37 2x4s h LEU 172 Ca 0.29 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.94 2x4s h LEU 172 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2x4s h LEU 172 CO -0.38 0.09 -1.64 -0.33 0.09 0.00 0.00 178.44 176.28 2x4s h GLU 173 N 0.00 0.28 -0.24 1.13 5.08 -0.37 -3.04 114.58 117.41 2x4s h GLU 173 Ca -0.00 -0.47 -0.08 0.00 -1.00 0.00 0.00 59.36 57.80 2x4s h GLU 173 Cb 0.18 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2x4s h GLU 173 CO 0.01 1.14 -0.18 -0.91 -1.00 0.00 0.00 179.01 178.07 2x4s h ASN 174 N 0.08 0.57 -1.32 1.42 2.35 -0.63 -3.15 115.58 114.90 2x4s h ASN 174 Ca -0.29 -0.45 -0.70 0.00 -0.55 0.00 0.00 56.30 54.32 2x4s h ASN 174 Cb 2.04 -0.16 -0.29 0.00 0.05 0.00 0.00 38.32 39.96 2x4s h ASN 174 CO 0.16 0.90 0.82 0.61 -1.65 0.00 0.00 177.43 178.27 2x4s n GLY 175 N 0.09 5.79 0.23 2.83 0.00 0.35 -4.72 105.19 109.76 2x4s n GLY 175 Ca -0.04 -2.39 -0.12 0.00 0.00 0.00 0.00 46.02 43.47 2x4s n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2x4s h LYS 176 N 2.34 -0.33 -0.72 1.61 2.10 -1.49 0.32 116.57 120.40 2x4s h LYS 176 Ca 0.58 0.02 0.21 0.00 -2.00 0.00 0.00 60.65 59.46 2x4s h LYS 176 Cb 0.60 0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 31.97 2x4s h LYS 176 CO 1.49 -0.22 0.55 0.93 -2.00 0.00 0.00 179.45 180.20 2x4s h GLU 177 N -0.35 0.00 0.00 0.07 5.08 -1.88 -1.90 114.58 115.60 2x4s h GLU 177 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2x4s h GLU 177 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2x4s h GLU 177 CO -0.14 0.00 -0.87 2.41 -1.00 0.00 0.00 179.01 179.41 2x4s n THR 178 N -4.18 1.40 0.14 1.13 -1.04 -0.77 -4.47 114.28 106.49 2x4s n THR 178 Ca 0.14 0.17 -0.01 0.00 -2.04 0.00 0.00 64.05 62.31 2x4s n THR 178 Cb 0.82 -2.30 0.18 0.00 -1.82 0.00 0.00 70.33 67.20 2x4s n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2x4s h LEU 179 N -0.94 0.01 -0.85 -4.42 3.38 -0.41 -3.06 115.31 109.02 2x4s h LEU 179 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2x4s h LEU 179 Cb 0.87 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2x4s h LEU 179 CO 0.00 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.14 2x4s n GLN 180 N -3.82 1.57 -2.33 1.13 6.02 -0.72 -4.89 117.38 114.34 2x4s n GLN 180 Ca -0.01 -0.84 -0.26 0.00 -0.01 0.00 0.00 57.00 55.88 2x4s n GLN 180 Cb 0.60 -1.40 0.05 0.00 1.02 0.00 0.00 30.24 30.52 2x4s n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2x4s s ARG 181 N -1.87 2.53 -0.07 -1.09 1.70 -1.16 -5.03 118.95 113.97 2x4s s ARG 181 Ca 0.33 -0.20 -0.03 0.00 -0.47 0.00 0.00 55.73 55.36 2x4s s ARG 181 Cb 0.17 -2.25 0.04 0.00 -0.57 0.00 0.00 34.95 32.35 2x4s s ARG 181 CO 0.27 -0.96 0.13 0.95 -1.08 0.00 0.00 175.30 174.62 2x4s s THR 182 N -3.09 -0.18 -0.25 4.99 -4.23 -1.26 -4.80 115.64 106.82 2x4s s THR 182 Ca 0.57 0.32 -0.16 0.00 -1.18 0.00 0.00 61.69 61.25 2x4s s THR 182 Cb -0.11 -0.25 -0.04 0.00 1.34 0.00 0.00 72.50 73.45 2x4s s THR 182 CO 0.44 0.13 0.41 -1.81 -0.54 0.00 0.00 174.62 173.26 2x4s s ASP 183 N 1.97 6.35 0.49 3.99 1.01 -0.56 -4.80 116.67 125.12 2x4s s ASP 183 Ca 0.00 0.41 -0.22 0.00 0.71 0.00 0.00 52.55 53.46 2x4s s ASP 183 Cb -0.12 -2.23 -0.07 0.00 1.01 0.00 0.00 42.92 41.51 2x4s s ASP 183 CO -0.05 -0.18 1.14 0.00 0.21 0.00 0.00 175.17 176.30 2x4s s ALA 184 N 1.90 2.86 0.24 5.23 0.00 -1.24 -2.19 121.76 128.56 2x4s s ALA 184 Ca 0.18 0.88 -0.31 0.00 0.00 0.00 0.00 51.96 52.70 2x4s s ALA 184 Cb -0.15 -3.37 -0.12 0.00 0.00 0.00 0.00 23.12 19.48 2x4s s ALA 184 CO 0.09 -0.68 1.69 -1.25 0.00 0.00 0.00 175.76 175.61 2x4s s PRO 185 N -2.94 4.12 -0.57 0.00 0.04 -1.26 -4.61 135.00 129.78 2x4s s PRO 185 Ca 0.67 2.61 -0.21 0.00 0.04 0.00 0.00 61.00 64.12 2x4s s PRO 185 Cb -0.26 -3.05 0.07 0.00 0.04 0.00 0.00 34.50 31.29 2x4s s PRO 185 CO 0.31 -0.73 0.78 0.15 0.04 0.00 0.00 177.00 177.55 2x4s s LYS 186 N 0.67 3.14 0.21 4.56 1.02 -0.08 -4.86 119.74 124.40 2x4s s LYS 186 Ca 0.72 -0.88 0.06 0.00 0.02 0.00 0.00 55.97 55.89 2x4s s LYS 186 Cb -0.49 -4.16 -0.04 0.00 -0.52 0.00 0.00 37.83 32.62 2x4s s LYS 186 CO 0.37 -1.48 0.18 0.95 -0.92 0.00 0.00 175.35 174.45 2x4s s THR 187 N 3.19 4.52 0.03 2.17 -4.23 -1.26 -1.94 115.64 118.13 2x4s s THR 187 Ca 0.18 -1.22 -0.29 0.00 -1.18 0.00 0.00 61.69 59.18 2x4s s THR 187 Cb -0.19 -3.38 0.10 0.00 1.34 0.00 0.00 72.50 70.37 2x4s s THR 187 CO 0.11 -0.24 1.11 -1.38 -0.54 0.00 0.00 174.62 173.69 2x4s s HIS 188 N -1.95 -0.12 0.14 3.99 -3.43 -0.94 -5.00 115.29 107.99 2x4s s HIS 188 Ca 0.32 -0.06 0.10 0.00 -0.80 0.00 0.00 55.06 54.62 2x4s s HIS 188 Cb -0.09 0.58 -0.04 0.00 -1.43 0.00 0.00 32.58 31.60 2x4s s HIS 188 CO 0.25 -0.51 -0.21 -1.64 -2.00 0.00 0.00 174.74 170.63 2x4s s MET 189 N -2.83 1.64 0.11 -0.38 -1.94 -1.26 -0.44 119.30 114.21 2x4s s MET 189 Ca 0.12 -1.30 0.09 0.00 -1.71 0.00 0.00 55.69 52.88 2x4s s MET 189 Cb 0.01 -2.00 -0.04 0.00 2.01 0.00 0.00 34.83 34.81 2x4s s MET 189 CO -0.02 0.45 -0.21 0.95 -0.01 0.00 0.00 175.02 176.18 2x4s s THR 190 N -1.27 1.80 -0.12 2.05 -4.23 0.18 -4.96 115.64 109.10 2x4s s THR 190 Ca 0.18 -1.62 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 2x4s s THR 190 Cb -0.10 -1.65 0.02 0.00 1.34 0.00 0.00 72.50 72.11 2x4s s THR 190 CO 0.09 -0.08 -0.14 -2.28 -0.54 0.00 0.00 174.62 171.67 2x4s s HIS 191 N -1.27 1.97 -0.04 3.99 2.46 -1.26 -0.85 115.29 120.29 2x4s s HIS 191 Ca 0.09 -0.97 0.01 0.00 0.47 0.00 0.00 55.06 54.66 2x4s s HIS 191 Cb -0.09 -1.44 0.02 0.00 -0.13 0.00 0.00 32.58 30.93 2x4s s HIS 191 CO 0.05 -0.52 -0.06 -1.01 -2.47 0.00 0.00 174.74 170.73 2x4s s HIS 192 N 1.14 0.76 -0.23 3.88 3.76 -0.77 -4.94 115.29 118.89 2x4s s HIS 192 Ca -0.03 -0.20 -0.29 0.00 -0.15 0.00 0.00 55.06 54.38 2x4s s HIS 192 Cb -0.14 -0.63 -0.02 0.00 1.11 0.00 0.00 32.58 32.90 2x4s s HIS 192 CO -0.04 -0.15 1.43 0.00 -0.85 0.00 0.00 174.74 175.13 2x4s s ALA 193 N 0.65 3.41 -0.07 -1.40 0.00 -1.26 0.85 121.76 123.94 2x4s s ALA 193 Ca -0.09 0.37 0.18 0.00 0.00 0.00 0.00 51.96 52.41 2x4s s ALA 193 Cb -0.12 -3.77 0.34 0.00 0.00 0.00 0.00 23.12 19.57 2x4s s ALA 193 CO 0.00 -1.69 1.57 0.28 0.00 0.00 0.00 175.76 175.92 2x4s h VAL 194 N 5.91 0.74 -1.09 0.00 2.07 -0.62 -3.47 116.25 119.79 2x4s h VAL 194 Ca -0.30 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.40 2x4s h VAL 194 Cb 1.12 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 2x4s h VAL 194 CO 1.00 0.39 0.00 -1.54 0.02 0.00 0.00 177.57 177.44 2x4s n SER 195 N -3.29 0.00 0.22 0.57 3.41 -0.71 -4.93 113.62 108.88 2x4s n SER 195 Ca 0.01 -0.51 0.08 0.00 -0.26 0.00 0.00 58.87 58.20 2x4s n SER 195 Cb 0.63 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 65.05 2x4s n SER 195 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2x4s h ASP 196 N 0.00 0.00 -0.02 4.04 2.03 -2.03 -3.25 116.42 117.19 2x4s h ASP 196 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2x4s h ASP 196 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2x4s h ASP 196 CO 0.00 0.27 0.00 0.00 -1.03 0.00 0.00 179.24 178.48 2x4s n HIS 197 N -3.57 0.02 -3.99 4.15 1.44 -1.26 -4.87 115.22 107.14 2x4s n HIS 197 Ca -0.01 -0.09 -0.14 0.00 -2.01 0.00 0.00 57.72 55.48 2x4s n HIS 197 Cb 0.41 -0.01 -0.14 0.00 0.12 0.00 0.00 29.99 30.37 2x4s n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2x4s s GLU 198 N -0.36 0.19 0.10 -1.40 2.02 -1.23 -1.82 118.70 116.20 2x4s s GLU 198 Ca 0.03 -0.08 0.06 0.00 0.02 0.00 0.00 54.97 55.01 2x4s s GLU 198 Cb 0.02 -0.19 -0.03 0.00 0.10 0.00 0.00 34.13 34.03 2x4s s GLU 198 CO 0.03 0.04 -0.15 0.00 0.02 0.00 0.00 175.26 175.21 2x4s s ALA 199 N -0.02 1.40 -0.28 5.21 0.00 0.20 0.13 121.76 128.40 2x4s s ALA 199 Ca 0.01 -1.18 -0.05 0.00 0.00 0.00 0.00 51.96 50.73 2x4s s ALA 199 Cb -0.01 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.03 2x4s s ALA 199 CO -0.00 0.15 0.04 0.99 0.00 0.00 0.00 175.76 176.93 2x4s s THR 200 N -1.75 3.61 -0.13 0.00 2.01 0.25 0.13 115.64 119.76 2x4s s THR 200 Ca 0.05 -0.82 -0.20 0.00 0.31 0.00 0.00 61.69 61.03 2x4s s THR 200 Cb -0.07 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 2x4s s THR 200 CO 0.03 0.11 0.58 -0.76 -0.69 0.00 0.00 174.62 173.88 2x4s s LEU 201 N 1.44 4.25 -0.12 4.42 1.43 0.01 -1.85 118.68 128.25 2x4s s LEU 201 Ca 0.02 0.92 0.02 0.00 -1.03 0.00 0.00 54.13 54.05 2x4s s LEU 201 Cb -0.17 -2.85 0.01 0.00 0.03 0.00 0.00 46.19 43.21 2x4s s LEU 201 CO 0.00 -0.11 -0.18 -0.60 0.23 0.00 0.00 176.35 175.69 2x4s s ARG 202 N 1.04 2.57 -0.26 1.70 3.52 -0.03 -0.77 118.95 126.71 2x4s s ARG 202 Ca 0.30 -0.69 -0.09 0.00 -0.13 0.00 0.00 55.73 55.12 2x4s s ARG 202 Cb -0.16 -2.11 -0.04 0.00 -1.56 0.00 0.00 34.95 31.08 2x4s s ARG 202 CO 0.12 -0.03 0.12 0.00 -0.81 0.00 0.00 175.30 174.70 2x4s s TRP 204 N 1.61 3.25 -0.35 0.00 0.52 0.42 -1.84 118.94 122.56 2x4s s TRP 204 Ca 0.06 0.08 -0.03 0.00 0.02 0.00 0.00 56.10 56.23 2x4s s TRP 204 Cb -0.15 -2.06 0.07 0.00 -1.15 0.00 0.00 33.47 30.18 2x4s s TRP 204 CO 0.06 0.18 0.09 0.00 0.02 0.00 0.00 176.95 177.31 2x4s s ALA 205 N 0.26 2.98 0.07 0.98 0.00 0.36 -2.21 121.76 124.21 2x4s s ALA 205 Ca 0.04 -2.01 0.03 0.00 0.00 0.00 0.00 51.96 50.02 2x4s s ALA 205 Cb -0.12 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 2x4s s ALA 205 CO 0.00 -1.46 0.04 -0.51 0.00 0.00 0.00 175.76 173.83 2x4s s LEU 206 N 1.25 3.63 -1.15 0.00 1.43 -0.82 -1.62 118.68 121.42 2x4s s LEU 206 Ca -0.00 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 2x4s s LEU 206 Cb -0.21 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.71 2x4s s LEU 206 CO -0.01 0.19 0.96 -0.24 0.23 0.00 0.00 176.35 177.48 2x4s n SER 207 N 0.65 -2.68 -4.74 2.29 2.88 -0.46 -0.90 113.62 110.64 2x4s n SER 207 Ca -0.10 -0.57 -0.24 0.00 -1.33 0.00 0.00 58.87 56.63 2x4s n SER 207 Cb 0.52 -4.82 -0.07 0.00 -0.75 0.00 0.00 64.21 59.10 2x4s n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2x4s s PHE 208 N -3.33 2.66 -0.27 0.66 -0.12 -0.85 -4.64 117.98 112.09 2x4s s PHE 208 Ca 0.09 -0.47 -0.15 0.00 -0.05 0.00 0.00 56.93 56.34 2x4s s PHE 208 Cb -0.04 -1.81 0.08 0.00 -0.63 0.00 0.00 43.02 40.62 2x4s s PHE 208 CO 0.68 0.24 0.67 -0.47 -0.05 0.00 0.00 175.22 176.29 2x4s s TYR 209 N -2.50 -1.04 0.90 3.49 5.04 -0.93 -0.87 117.35 121.44 2x4s s TYR 209 Ca 0.40 2.08 -0.14 0.00 -2.44 0.00 0.00 57.07 56.97 2x4s s TYR 209 Cb 0.00 0.61 0.14 0.00 0.35 0.00 0.00 41.96 43.07 2x4s s TYR 209 CO 0.23 -0.52 1.23 -1.25 -1.34 0.00 0.00 175.55 173.90 2x4s s PRO 210 N 1.64 1.21 0.37 4.97 0.05 -1.26 -1.50 135.00 140.48 2x4s s PRO 210 Ca -0.10 -0.09 0.11 0.00 0.05 0.00 0.00 61.00 60.97 2x4s s PRO 210 Cb -0.05 -1.88 0.89 0.00 0.05 0.00 0.00 34.50 33.50 2x4s s PRO 210 CO -0.19 -2.08 1.85 0.00 0.05 0.00 0.00 177.00 176.63 2x4s h ALA 211 N -1.40 1.93 -2.41 8.56 0.00 -1.95 -3.43 119.26 120.56 2x4s h ALA 211 Ca -0.46 0.03 -0.54 0.00 0.00 0.00 0.00 54.91 53.93 2x4s h ALA 211 Cb 1.29 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 19.03 2x4s h ALA 211 CO 0.53 -0.20 1.09 -1.91 0.00 0.00 0.00 179.25 178.76 2x4s n GLU 212 N -4.57 2.67 -3.55 0.00 4.07 -1.26 -4.95 120.64 113.04 2x4s n GLU 212 Ca 0.19 0.97 -0.11 0.00 -0.06 0.00 0.00 57.16 58.15 2x4s n GLU 212 Cb 0.55 -2.86 -0.04 0.00 -0.06 0.00 0.00 31.44 29.04 2x4s n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 2x4s s ILE 213 N 2.84 0.04 -0.07 6.31 2.07 -1.26 -4.55 121.20 126.58 2x4s s ILE 213 Ca 0.83 -0.34 -0.00 0.00 -1.41 0.00 0.00 60.65 59.73 2x4s s ILE 213 Cb -0.52 -1.09 0.03 0.00 0.13 0.00 0.00 42.46 41.01 2x4s s ILE 213 CO 0.39 -0.19 -0.03 -0.89 -1.91 0.00 0.00 174.94 172.32 2x4s s THR 214 N -3.68 0.58 -0.23 4.00 2.01 -0.37 -4.98 115.64 112.96 2x4s s THR 214 Ca 0.02 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 61.98 2x4s s THR 214 Cb 0.01 -0.67 0.04 0.00 0.01 0.00 0.00 72.50 71.88 2x4s s THR 214 CO -0.12 0.28 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.22 2x4s s LEU 215 N 1.63 3.00 0.04 4.42 1.43 -1.26 -1.36 118.68 126.60 2x4s s LEU 215 Ca 0.01 -0.98 0.07 0.00 -1.03 0.00 0.00 54.13 52.19 2x4s s LEU 215 Cb -0.13 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 2x4s s LEU 215 CO -0.04 -0.12 -0.19 0.42 0.23 0.00 0.00 176.35 176.65 2x4s s THR 216 N 1.25 1.56 0.04 5.49 -4.23 -0.79 -4.95 115.64 114.00 2x4s s THR 216 Ca -0.01 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.33 2x4s s THR 216 Cb -0.17 -1.37 -0.04 0.00 1.34 0.00 0.00 72.50 72.27 2x4s s THR 216 CO -0.07 0.16 0.15 0.26 -0.54 0.00 0.00 174.62 174.58 2x4s s TRP 217 N -0.81 3.40 0.02 3.99 0.52 -1.26 -0.76 118.94 124.04 2x4s s TRP 217 Ca 0.06 0.23 0.00 0.00 0.02 0.00 0.00 56.10 56.41 2x4s s TRP 217 Cb -0.09 -1.74 -0.02 0.00 -1.15 0.00 0.00 33.47 30.47 2x4s s TRP 217 CO 0.02 0.58 -0.04 -0.65 0.02 0.00 0.00 176.95 176.88 2x4s s GLN 218 N -2.20 0.35 -0.20 4.98 -0.21 0.28 -1.67 119.66 120.99 2x4s s GLN 218 Ca 0.30 -0.66 -0.00 0.00 0.02 0.00 0.00 55.36 55.02 2x4s s GLN 218 Cb -0.13 0.06 0.05 0.00 1.00 0.00 0.00 33.01 33.99 2x4s s GLN 218 CO 0.22 -0.04 -0.05 0.50 -2.12 0.00 0.00 175.29 173.80 2x4s s ARG 219 N -1.58 1.52 -1.53 2.91 3.52 0.20 -0.68 118.95 123.30 2x4s s ARG 219 Ca -0.14 -0.73 -0.10 0.00 -0.13 0.00 0.00 55.73 54.62 2x4s s ARG 219 Cb -0.09 -2.30 0.08 0.00 -1.56 0.00 0.00 34.95 31.08 2x4s s ARG 219 CO -0.01 -0.51 0.75 -0.25 -0.81 0.00 0.00 175.30 174.47 2x4s n ASP 220 N 4.79 -2.81 0.00 -2.12 8.00 0.84 -1.41 116.55 123.84 2x4s n ASP 220 Ca -0.12 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.47 2x4s n ASP 220 Cb 0.46 -3.36 0.00 0.00 -0.02 0.00 0.00 41.12 38.21 2x4s n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x4s n GLY 221 N -1.66 2.63 3.62 0.44 0.00 -1.26 -5.00 105.19 103.96 2x4s n GLY 221 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 2x4s n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x4s s GLU 222 N -0.29 4.09 0.16 1.61 2.02 -0.50 -5.00 118.70 120.80 2x4s s GLU 222 Ca 0.00 0.41 -0.34 0.00 0.02 0.00 0.00 54.97 55.06 2x4s s GLU 222 Cb 0.00 -3.65 -0.14 0.00 0.10 0.00 0.00 34.13 30.45 2x4s s GLU 222 CO 0.00 -0.36 1.61 -0.25 0.02 0.00 0.00 175.26 176.28 2x4s n ASP 223 N 5.55 3.23 -1.91 -0.19 8.00 -1.26 -0.63 116.55 129.34 2x4s n ASP 223 Ca -0.03 1.08 -0.03 0.00 0.71 0.00 0.00 54.79 56.51 2x4s n ASP 223 Cb 0.49 -1.45 0.32 0.00 -0.02 0.00 0.00 41.12 40.46 2x4s n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x4s n GLN 224 N 3.60 3.80 0.16 -1.24 1.13 -0.67 -4.74 117.38 119.43 2x4s n GLN 224 Ca 0.17 -3.10 0.17 0.00 -1.94 0.00 0.00 57.00 52.30 2x4s n GLN 224 Cb 0.30 -2.20 0.61 0.00 0.11 0.00 0.00 30.24 29.06 2x4s n GLN 224 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 2x4s h THR 225 N 2.77 0.13 0.00 5.09 1.35 -1.90 0.39 112.91 120.73 2x4s h THR 225 Ca 0.22 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.93 2x4s h THR 225 Cb 2.23 0.46 -0.02 0.00 -1.73 0.00 0.00 68.15 69.09 2x4s h THR 225 CO 0.67 0.00 -1.05 -0.61 -0.25 0.00 0.00 175.52 174.28 2x4s h GLN 226 N 0.00 0.00 -0.49 4.72 4.15 -1.98 -3.31 115.11 118.20 2x4s h GLN 226 Ca 0.15 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.57 2x4s h GLN 226 Cb 1.36 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.05 2x4s h GLN 226 CO -0.00 0.39 0.00 -0.25 -1.93 0.00 0.00 178.83 177.04 2x4s n ASP 227 N -3.03 4.16 -4.65 -0.69 8.00 0.13 -4.92 116.55 115.55 2x4s n ASP 227 Ca -0.05 -2.47 -0.37 0.00 0.71 0.00 0.00 54.79 52.61 2x4s n ASP 227 Cb 0.80 -0.49 -0.10 0.00 -0.02 0.00 0.00 41.12 41.31 2x4s n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2x4s s THR 228 N -1.87 5.34 -0.00 -3.53 2.01 -0.95 -4.41 115.64 112.22 2x4s s THR 228 Ca 0.43 0.17 -0.22 0.00 0.31 0.00 0.00 61.69 62.38 2x4s s THR 228 Cb 0.28 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 2x4s s THR 228 CO 0.19 0.33 0.66 -0.70 -0.69 0.00 0.00 174.62 174.41 2x4s s GLU 229 N 1.17 4.40 -0.18 4.92 2.12 0.69 -4.91 118.70 126.92 2x4s s GLU 229 Ca 0.07 0.86 -0.04 0.00 0.36 0.00 0.00 54.97 56.22 2x4s s GLU 229 Cb -0.14 -3.37 0.09 0.00 0.26 0.00 0.00 34.13 30.97 2x4s s GLU 229 CO 0.06 0.28 0.27 -1.17 -0.54 0.00 0.00 175.26 174.15 2x4s s LEU 230 N 0.07 -0.30 0.39 2.70 2.96 -1.26 0.23 118.68 123.47 2x4s s LEU 230 Ca 0.34 0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 54.43 2x4s s LEU 230 Cb -0.19 0.67 -0.05 0.00 0.50 0.00 0.00 46.19 47.12 2x4s s LEU 230 CO 0.19 -0.28 0.70 0.68 -1.32 0.00 0.00 176.35 176.31 2x4s s VAL 231 N 2.41 4.92 0.26 1.68 -7.23 -1.17 -5.03 120.40 116.24 2x4s s VAL 231 Ca 0.05 0.23 -0.30 0.00 -1.81 0.00 0.00 61.98 60.15 2x4s s VAL 231 Cb -0.14 -3.79 -0.14 0.00 0.56 0.00 0.00 36.38 32.87 2x4s s VAL 231 CO -0.11 -0.58 1.19 -0.62 -0.31 0.00 0.00 175.10 174.67 2x4s n GLU 232 N -1.55 1.60 -1.66 4.82 1.02 -1.26 -4.65 120.64 118.96 2x4s n GLU 232 Ca 0.00 0.56 -0.46 0.00 -0.02 0.00 0.00 57.16 57.24 2x4s n GLU 232 Cb 0.55 -2.07 -0.04 0.00 -0.02 0.00 0.00 31.44 29.86 2x4s n GLU 232 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2x4s n THR 233 N 0.95 0.34 -4.24 2.62 -1.04 -1.26 -4.82 114.28 106.82 2x4s n THR 233 Ca 0.11 -0.08 -0.19 0.00 -2.04 0.00 0.00 64.05 61.84 2x4s n THR 233 Cb 0.31 -1.40 -0.11 0.00 -1.82 0.00 0.00 70.33 67.30 2x4s n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2x4s s ARG 234 N 0.38 1.02 0.19 -2.82 1.70 -0.62 -4.96 118.95 113.84 2x4s s ARG 234 Ca 0.76 -1.20 -0.30 0.00 -0.47 0.00 0.00 55.73 54.52 2x4s s ARG 234 Cb -0.71 -0.97 -0.08 0.00 -0.57 0.00 0.00 34.95 32.62 2x4s s ARG 234 CO 0.43 0.20 1.06 -2.14 -1.08 0.00 0.00 175.30 173.77 2x4s s PRO 235 N -2.45 4.65 0.11 3.89 0.02 -1.26 -0.40 135.00 139.55 2x4s s PRO 235 Ca 0.07 1.67 0.08 0.00 0.02 0.00 0.00 61.00 62.84 2x4s s PRO 235 Cb -0.06 -3.28 -0.20 0.00 0.02 0.00 0.00 34.50 30.98 2x4s s PRO 235 CO 0.03 0.17 1.21 0.00 -0.33 0.00 0.00 177.00 178.08 2x4s h ALA 236 N 4.85 0.42 0.00 -1.55 0.00 -1.02 -3.46 119.26 118.51 2x4s h ALA 236 Ca -0.45 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.51 2x4s h ALA 236 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2x4s h ALA 236 CO 0.71 1.25 0.00 0.41 0.00 0.00 0.00 179.25 181.62 2x4s n GLY 237 N 1.37 0.74 0.05 0.00 0.00 -1.26 -4.94 105.19 101.14 2x4s n GLY 237 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 2x4s n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2x4s n ASP 238 N 0.00 2.15 0.00 1.61 5.75 -1.26 -4.93 116.55 119.87 2x4s n ASP 238 Ca 0.00 -2.36 0.00 0.00 -0.01 0.00 0.00 54.79 52.42 2x4s n ASP 238 Cb 0.00 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 2x4s n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2x4s n GLY 239 N -0.78 0.74 3.48 6.12 0.00 -1.26 -5.07 105.19 108.41 2x4s n GLY 239 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 2x4s n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x4s s THR 240 N -2.07 1.57 0.23 2.61 -4.23 -1.26 -4.84 115.64 107.65 2x4s s THR 240 Ca 0.00 -2.06 0.10 0.00 -1.18 0.00 0.00 61.69 58.55 2x4s s THR 240 Cb 0.00 -2.70 -0.05 0.00 1.34 0.00 0.00 72.50 71.10 2x4s s THR 240 CO 0.00 -0.12 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.42 2x4s s PHE 241 N -3.04 2.00 0.28 3.99 0.08 -0.05 -0.35 117.98 120.89 2x4s s PHE 241 Ca 0.33 -0.45 0.04 0.00 0.12 0.00 0.00 56.93 56.98 2x4s s PHE 241 Cb 0.07 -0.91 -0.06 0.00 -0.57 0.00 0.00 43.02 41.55 2x4s s PHE 241 CO 0.15 0.52 0.02 -0.65 -0.10 0.00 0.00 175.22 175.15 2x4s s GLN 242 N -3.44 1.52 -0.26 0.44 -0.21 0.46 -1.36 119.66 116.81 2x4s s GLN 242 Ca 0.25 -1.80 -0.29 0.00 0.02 0.00 0.00 55.36 53.54 2x4s s GLN 242 Cb -0.03 -0.80 0.17 0.00 1.00 0.00 0.00 33.01 33.35 2x4s s GLN 242 CO 0.10 -0.13 1.27 0.21 -2.12 0.00 0.00 175.29 174.63 2x4s s LYS 243 N -3.86 0.20 0.07 2.91 2.20 -0.64 -1.59 119.74 119.03 2x4s s LYS 243 Ca 0.33 0.07 -0.11 0.00 -0.36 0.00 0.00 55.97 55.90 2x4s s LYS 243 Cb 0.07 0.10 0.01 0.00 -1.51 0.00 0.00 37.83 36.49 2x4s s LYS 243 CO 0.13 -0.06 0.25 1.67 -0.36 0.00 0.00 175.35 176.97 2x4s s TRP 244 N -0.88 0.02 -0.04 4.03 1.48 -1.26 -0.48 118.94 121.81 2x4s s TRP 244 Ca 0.06 -0.31 0.02 0.00 -1.06 0.00 0.00 56.10 54.80 2x4s s TRP 244 Cb -0.01 0.03 0.01 0.00 -1.16 0.00 0.00 33.47 32.34 2x4s s TRP 244 CO -0.06 -0.53 -0.07 0.00 -4.06 0.00 0.00 176.95 172.23 2x4s s ALA 245 N -3.24 0.80 0.08 2.67 0.00 -0.76 -3.06 121.76 118.25 2x4s s ALA 245 Ca -0.00 -0.19 0.09 0.00 0.00 0.00 0.00 51.96 51.86 2x4s s ALA 245 Cb 0.02 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 2x4s s ALA 245 CO -0.08 0.06 -0.24 0.00 0.00 0.00 0.00 175.76 175.51 2x4s s ALA 246 N 0.62 2.43 0.07 0.00 0.00 0.14 -0.70 121.76 124.32 2x4s s ALA 246 Ca -0.09 -1.33 0.07 0.00 0.00 0.00 0.00 51.96 50.61 2x4s s ALA 246 Cb -0.13 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 2x4s s ALA 246 CO 0.01 0.55 -0.18 0.14 0.00 0.00 0.00 175.76 176.28 2x4s s VAL 247 N -0.96 1.47 -0.32 0.00 -7.23 0.05 -0.22 120.40 113.19 2x4s s VAL 247 Ca 0.14 -1.31 -0.14 0.00 -1.81 0.00 0.00 61.98 58.86 2x4s s VAL 247 Cb -0.10 -1.33 -0.02 0.00 0.56 0.00 0.00 36.38 35.48 2x4s s VAL 247 CO 0.05 -0.01 0.32 -0.69 -0.31 0.00 0.00 175.10 174.45 2x4s s VAL 248 N -1.03 5.21 0.07 1.32 1.01 -1.26 -0.81 120.40 124.90 2x4s s VAL 248 Ca 0.04 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.18 2x4s s VAL 248 Cb -0.09 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2x4s s VAL 248 CO 0.03 0.01 -0.16 -0.69 0.00 0.00 0.00 175.10 174.28 2x4s s VAL 249 N 1.93 2.96 0.02 2.92 1.01 0.34 -4.94 120.40 124.64 2x4s s VAL 249 Ca 0.10 -1.25 -0.30 0.00 0.00 0.00 0.00 61.98 60.53 2x4s s VAL 249 Cb -0.17 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 2x4s s VAL 249 CO 0.11 0.24 1.31 -2.84 0.00 0.00 0.00 175.10 173.92 2x4s s PRO 250 N -1.74 4.34 0.03 2.72 0.02 -1.26 0.62 135.00 139.73 2x4s s PRO 250 Ca 0.17 1.87 -0.37 0.00 0.02 0.00 0.00 61.00 62.68 2x4s s PRO 250 Cb -0.11 -3.48 -0.17 0.00 0.02 0.00 0.00 34.50 30.77 2x4s s PRO 250 CO 0.08 -0.46 1.40 0.43 -0.33 0.00 0.00 177.00 178.12 2x4s n SER 251 N 4.82 1.75 0.00 2.53 7.64 -0.76 -1.42 113.62 128.19 2x4s n SER 251 Ca 0.11 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.11 2x4s n SER 251 Cb 0.45 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 2x4s n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x4s n GLY 252 N 2.77 0.54 0.02 0.23 0.00 -1.26 -4.91 105.19 102.57 2x4s n GLY 252 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.22 2x4s n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2x4s n GLN 253 N -1.53 2.27 -0.35 1.61 6.02 -0.50 -4.74 117.38 120.16 2x4s n GLN 253 Ca 0.00 -1.41 0.32 0.00 -0.01 0.00 0.00 57.00 55.91 2x4s n GLN 253 Cb 0.00 -0.94 0.67 0.00 1.02 0.00 0.00 30.24 30.99 2x4s n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2x4s h GLU 254 N 0.00 0.13 0.00 -1.09 3.07 -1.91 0.95 114.58 115.73 2x4s h GLU 254 Ca 0.00 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.82 2x4s h GLU 254 Cb 0.65 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.52 2x4s h GLU 254 CO 0.00 0.08 -0.13 -0.56 -1.40 0.00 0.00 179.01 177.00 2x4s h GLN 255 N 0.13 0.00 -0.00 2.33 3.07 -1.85 -3.07 115.11 115.71 2x4s h GLN 255 Ca 0.61 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.35 2x4s h GLN 255 Cb 2.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.67 2x4s h GLN 255 CO -0.13 0.13 -0.03 0.54 0.09 0.00 0.00 178.83 179.43 2x4s n ARG 256 N -3.27 0.67 -4.74 0.06 1.74 0.33 -4.84 116.66 106.61 2x4s n ARG 256 Ca 0.00 -0.09 -0.33 0.00 -0.77 0.00 0.00 57.85 56.66 2x4s n ARG 256 Cb 0.38 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.20 2x4s n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2x4s s TYR 257 N -2.40 2.83 0.07 -1.55 2.02 -1.16 -0.12 117.35 117.05 2x4s s TYR 257 Ca 0.33 -0.26 0.08 0.00 -0.37 0.00 0.00 57.07 56.85 2x4s s TYR 257 Cb 0.21 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.99 2x4s s TYR 257 CO 0.44 0.09 -0.21 0.95 -1.57 0.00 0.00 175.55 175.25 2x4s s THR 258 N -0.33 1.73 -0.16 -0.71 -4.23 0.14 -4.30 115.64 107.78 2x4s s THR 258 Ca 0.04 -1.38 -0.03 0.00 -1.18 0.00 0.00 61.69 59.13 2x4s s THR 258 Cb -0.13 -1.53 -0.02 0.00 1.34 0.00 0.00 72.50 72.16 2x4s s THR 258 CO 0.02 0.09 -0.05 0.00 -0.54 0.00 0.00 174.62 174.14 2x4s s HIS 260 N 0.50 2.82 -0.09 0.00 3.76 0.06 -0.27 115.29 122.06 2x4s s HIS 260 Ca -0.04 -0.75 0.04 0.00 -0.15 0.00 0.00 55.06 54.16 2x4s s HIS 260 Cb -0.14 -1.87 -0.00 0.00 1.11 0.00 0.00 32.58 31.67 2x4s s HIS 260 CO 0.03 -0.29 -0.22 0.08 -0.85 0.00 0.00 174.74 173.48 2x4s s VAL 261 N 0.54 1.91 -0.08 -0.90 1.01 -0.53 -1.89 120.40 120.46 2x4s s VAL 261 Ca -0.08 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 60.97 2x4s s VAL 261 Cb -0.16 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.59 2x4s s VAL 261 CO 0.04 0.53 -0.11 -1.10 0.00 0.00 0.00 175.10 174.45 2x4s s GLN 262 N 0.28 1.69 0.16 2.72 -0.21 -0.46 -1.32 119.66 122.53 2x4s s GLN 262 Ca -0.15 -0.39 -0.08 0.00 0.02 0.00 0.00 55.36 54.77 2x4s s GLN 262 Cb -0.17 -1.48 -0.01 0.00 1.00 0.00 0.00 33.01 32.35 2x4s s GLN 262 CO 0.07 -0.05 0.26 -1.58 -2.12 0.00 0.00 175.29 171.87 2x4s s HIS 263 N 0.93 0.48 0.29 0.91 2.46 -1.26 -1.24 115.29 117.86 2x4s s HIS 263 Ca -0.09 -0.84 0.15 0.00 0.47 0.00 0.00 55.06 54.75 2x4s s HIS 263 Cb -0.15 -0.12 0.67 0.00 -0.13 0.00 0.00 32.58 32.85 2x4s s HIS 263 CO 0.00 -0.70 1.76 1.49 -2.47 0.00 0.00 174.74 174.82 2x4s h GLU 264 N 2.58 0.00 -0.92 2.88 4.81 -1.92 -2.88 114.58 119.13 2x4s h GLU 264 Ca -0.32 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.75 2x4s h GLU 264 Cb 1.23 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.51 2x4s h GLU 264 CO 0.49 0.42 0.20 0.41 -0.73 0.00 0.00 179.01 179.80 2x4s n GLY 265 N -0.08 2.86 2.87 1.92 0.00 -1.26 -4.81 105.19 106.69 2x4s n GLY 265 Ca -0.01 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 2x4s n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x4s s LEU 266 N -1.54 1.12 0.25 0.99 1.43 -1.09 -3.72 118.68 116.12 2x4s s LEU 266 Ca 0.28 -0.15 0.07 0.00 -1.03 0.00 0.00 54.13 53.29 2x4s s LEU 266 Cb 0.23 -0.53 0.30 0.00 0.03 0.00 0.00 46.19 46.21 2x4s s LEU 266 CO 0.06 -0.10 1.59 -0.65 0.23 0.00 0.00 176.35 177.48 2x4s h PRO 267 N 7.64 0.14 -2.95 1.29 0.10 -1.87 -3.43 132.00 132.93 2x4s h PRO 267 Ca -0.31 -0.10 -0.36 0.00 0.10 0.00 0.00 66.00 65.34 2x4s h PRO 267 Cb 1.14 0.01 -0.38 0.00 0.10 0.00 0.00 31.00 31.88 2x4s h PRO 267 CO 0.40 0.70 -0.68 0.15 0.10 0.00 0.00 178.00 178.67 2x4s s LYS 268 N -3.71 0.07 -0.45 1.05 1.02 -1.26 -5.10 119.74 111.36 2x4s s LYS 268 Ca -0.03 0.26 -0.41 0.00 0.02 0.00 0.00 55.97 55.81 2x4s s LYS 268 Cb 0.12 -1.01 -0.17 0.00 -0.52 0.00 0.00 37.83 36.25 2x4s s LYS 268 CO 0.78 -0.51 1.63 -2.30 -0.92 0.00 0.00 175.35 174.03 2x4s n PRO 269 N 5.31 0.00 -1.80 -1.68 -0.02 -1.26 -4.83 135.00 130.72 2x4s n PRO 269 Ca -0.05 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.05 2x4s n PRO 269 Cb 0.50 -1.34 0.05 0.00 -0.02 0.00 0.00 33.50 32.69 2x4s n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2x4s s LEU 270 N 3.78 3.70 -0.09 2.45 1.43 -0.43 -4.78 118.68 124.75 2x4s s LEU 270 Ca 0.99 2.65 0.01 0.00 -1.03 0.00 0.00 54.13 56.76 2x4s s LEU 270 Cb -1.34 -4.47 0.02 0.00 0.03 0.00 0.00 46.19 40.43 2x4s s LEU 270 CO 0.67 -1.77 -0.11 -0.89 0.23 0.00 0.00 176.35 174.49 2x4s s THR 271 N -1.38 1.12 -0.06 5.49 2.01 -1.26 -1.46 115.64 120.10 2x4s s THR 271 Ca 0.77 -0.41 0.05 0.00 0.31 0.00 0.00 61.69 62.41 2x4s s THR 271 Cb -0.38 -1.06 -0.01 0.00 0.01 0.00 0.00 72.50 71.06 2x4s s THR 271 CO 0.42 0.37 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.72 2x4s s LEU 272 N 1.10 2.04 0.25 4.42 1.02 0.62 -4.93 118.68 123.20 2x4s s LEU 272 Ca -0.06 -0.49 0.11 0.00 0.02 0.00 0.00 54.13 53.70 2x4s s LEU 272 Cb -0.14 -1.31 -0.05 0.00 0.02 0.00 0.00 46.19 44.71 2x4s s LEU 272 CO -0.02 0.21 -0.19 -0.13 0.02 0.00 0.00 176.35 176.25 2x4s s ARG 273 N -0.04 1.55 -1.24 1.70 0.52 -1.26 0.41 118.95 120.59 2x4s s ARG 273 Ca -0.06 -1.69 -0.16 0.00 -0.52 0.00 0.00 55.73 53.30 2x4s s ARG 273 Cb -0.14 -1.58 0.12 0.00 0.52 0.00 0.00 34.95 33.87 2x4s s ARG 273 CO 0.04 0.29 1.57 -0.46 0.02 0.00 0.00 175.30 176.76 2x4s s TRP 274 N -2.56 3.15 0.00 -0.53 -0.11 -1.26 -5.01 118.94 112.62 2x4s s TRP 274 Ca 0.27 -1.86 0.00 0.00 1.22 0.00 0.00 56.10 55.72 2x4s s TRP 274 Cb -0.04 -4.52 0.00 0.00 -1.50 0.00 0.00 33.47 27.41 2x4s s TRP 274 CO 0.12 -1.60 0.00 -1.91 -4.62 0.00 0.00 176.95 168.94