#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pot s PRO 12 N 0.00 3.35 0.10 5.56 0.02 -1.26 -4.70 135.00 138.08 2pot s PRO 12 Ca 0.00 1.09 -0.17 0.00 0.02 0.00 0.00 61.00 61.95 2pot s PRO 12 Cb 0.00 -2.04 -0.05 0.00 0.02 0.00 0.00 34.50 32.43 2pot s PRO 12 CO 0.00 -0.77 1.54 -0.09 -0.33 0.00 0.00 177.00 177.35 2pot h ARG 13 N 0.25 0.58 -0.62 5.54 2.43 -1.85 -0.20 114.38 120.50 2pot h ARG 13 Ca -0.46 -0.19 0.06 0.00 -0.81 0.00 0.00 59.98 58.59 2pot h ARG 13 Cb 1.21 -0.05 -0.19 0.00 -0.42 0.00 0.00 29.97 30.52 2pot h ARG 13 CO 0.58 0.71 -0.26 0.12 -1.51 0.00 0.00 179.97 179.61 2pot s PHE 14 N -4.98 -1.11 -0.30 2.20 5.36 -1.20 -4.13 117.98 113.83 2pot s PHE 14 Ca -0.13 0.34 0.03 0.00 -0.96 0.00 0.00 56.93 56.21 2pot s PHE 14 Cb 0.09 0.20 0.08 0.00 -0.34 0.00 0.00 43.02 43.04 2pot s PHE 14 CO 0.77 -0.72 -0.04 0.45 -1.46 0.00 0.00 175.22 174.23 2pot s SER 15 N 2.24 4.61 -0.32 6.13 0.15 0.59 -4.94 113.70 122.15 2pot s SER 15 Ca 0.17 -1.70 -0.21 0.00 0.70 0.00 0.00 55.95 54.91 2pot s SER 15 Cb -0.02 -1.59 -0.00 0.00 -1.71 0.00 0.00 66.02 62.69 2pot s SER 15 CO -0.15 -0.27 0.67 0.12 1.20 0.00 0.00 173.24 174.80 2pot s PHE 16 N 1.03 3.18 -0.04 3.44 5.36 -1.26 -0.02 117.98 129.67 2pot s PHE 16 Ca -0.01 0.55 0.06 0.00 -0.96 0.00 0.00 56.93 56.57 2pot s PHE 16 Cb -0.20 -3.10 -0.01 0.00 -0.34 0.00 0.00 43.02 39.37 2pot s PHE 16 CO -0.06 -0.55 -0.24 0.45 -1.46 0.00 0.00 175.22 173.36 2pot s SER 17 N 1.70 2.88 -0.45 6.13 0.15 0.17 -4.98 113.70 119.31 2pot s SER 17 Ca 0.27 -0.47 -0.18 0.00 0.70 0.00 0.00 55.95 56.27 2pot s SER 17 Cb -0.14 -0.66 0.04 0.00 -1.71 0.00 0.00 66.02 63.54 2pot s SER 17 CO 0.13 0.25 0.48 -0.63 1.20 0.00 0.00 173.24 174.67 2pot s ILE 18 N -0.25 5.05 0.10 6.45 1.01 -1.26 -0.37 121.20 131.93 2pot s ILE 18 Ca -0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 60.65 60.12 2pot s ILE 18 Cb -0.12 -4.11 -0.20 0.00 0.01 0.00 0.00 42.46 38.03 2pot s ILE 18 CO 0.02 -0.53 1.25 0.00 0.00 0.00 0.00 174.94 175.69 2pot h ALA 19 N 8.79 0.26 -2.62 9.38 0.00 -0.55 -3.48 119.26 131.05 2pot h ALA 19 Ca -0.27 -0.70 -0.06 0.00 0.00 0.00 0.00 54.91 53.88 2pot h ALA 19 Cb 1.11 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 2pot h ALA 19 CO 0.84 0.75 -0.05 0.00 0.00 0.00 0.00 179.25 180.80 2pot s ALA 20 N -3.31 -1.07 0.03 0.00 0.00 -0.73 -5.01 121.76 111.67 2pot s ALA 20 Ca -0.08 0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 2pot s ALA 20 Cb 0.08 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.67 2pot s ALA 20 CO 0.89 -0.54 -0.01 1.03 0.00 0.00 0.00 175.76 177.13 2pot s ARG 21 N -2.96 0.40 -0.22 0.00 0.52 -1.26 -0.78 118.95 114.65 2pot s ARG 21 Ca -0.02 -0.73 -0.04 0.00 -0.52 0.00 0.00 55.73 54.42 2pot s ARG 21 Cb 0.00 0.14 0.11 0.00 0.52 0.00 0.00 34.95 35.72 2pot s ARG 21 CO -0.06 -0.07 0.30 -2.00 0.02 0.00 0.00 175.30 173.49 2pot s GLU 22 N -2.02 0.26 7.16 3.54 2.12 -0.37 -4.92 118.70 124.48 2pot s GLU 22 Ca -0.11 0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.64 2pot s GLU 22 Cb -0.06 -0.74 0.00 0.00 0.26 0.00 0.00 34.13 33.59 2pot s GLU 22 CO -0.03 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 174.49 2pot n GLY 23 N 5.34 3.48 0.10 -1.50 0.00 -1.26 -1.28 105.19 110.08 2pot n GLY 23 Ca -0.05 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 45.99 2pot n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pot h LYS 24 N 0.00 0.00 -6.92 1.61 1.57 -1.90 -3.46 116.57 107.47 2pot h LYS 24 Ca 0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 2pot h LYS 24 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2pot h LYS 24 CO 0.00 0.00 0.29 0.00 -0.57 0.00 0.00 179.45 179.17 2pot s ALA 25 N -3.13 3.16 0.04 3.86 0.00 -0.40 -3.47 121.76 121.82 2pot s ALA 25 Ca 0.09 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.45 2pot s ALA 25 Cb 0.12 -3.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 2pot s ALA 25 CO 0.63 0.19 -0.10 1.03 0.00 0.00 0.00 175.76 177.51 2pot s ARG 26 N -2.73 0.64 0.02 0.00 3.00 -1.26 -1.24 118.95 117.39 2pot s ARG 26 Ca 0.56 -0.75 0.02 0.00 0.00 0.00 0.00 55.73 55.55 2pot s ARG 26 Cb -0.13 -0.52 -0.02 0.00 0.00 0.00 0.00 34.95 34.29 2pot s ARG 26 CO 0.17 0.11 -0.07 -0.08 0.00 0.00 0.00 175.30 175.44 2pot s THR 27 N -1.17 0.50 -1.73 0.02 -1.32 0.04 -4.08 115.64 107.90 2pot s THR 27 Ca -0.05 -0.76 0.00 0.00 -1.21 0.00 0.00 61.69 59.67 2pot s THR 27 Cb -0.09 -0.52 0.00 0.00 -1.51 0.00 0.00 72.50 70.38 2pot s THR 27 CO 0.01 -0.19 0.00 0.61 -2.21 0.00 0.00 174.62 172.84 2pot n GLY 28 N 2.03 -0.65 3.09 6.08 0.00 -0.38 0.25 105.19 115.61 2pot n GLY 28 Ca -0.19 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 2pot n GLY 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pot s THR 29 N -3.64 0.57 -0.29 2.61 -4.23 0.50 -0.62 115.64 110.54 2pot s THR 29 Ca 0.00 -1.32 -0.00 0.00 -1.18 0.00 0.00 61.69 59.19 2pot s THR 29 Cb 0.00 -0.91 0.06 0.00 1.34 0.00 0.00 72.50 72.98 2pot s THR 29 CO 0.00 -0.53 -0.03 -0.63 -0.54 0.00 0.00 174.62 172.89 2pot s ILE 30 N -2.04 2.71 -0.12 2.99 1.01 0.09 0.45 121.20 126.29 2pot s ILE 30 Ca -0.04 -1.51 -0.22 0.00 0.00 0.00 0.00 60.65 58.89 2pot s ILE 30 Cb -0.05 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 2pot s ILE 30 CO -0.01 -0.11 0.64 -1.61 0.00 0.00 0.00 174.94 173.85 2pot s GLU 31 N 1.19 4.35 0.26 2.79 2.02 0.97 -0.23 118.70 130.05 2pot s GLU 31 Ca -0.06 0.72 0.02 0.00 0.02 0.00 0.00 54.97 55.67 2pot s GLU 31 Cb -0.20 -3.49 -0.05 0.00 0.10 0.00 0.00 34.13 30.49 2pot s GLU 31 CO -0.03 -0.02 0.06 -1.64 0.02 0.00 0.00 175.26 173.66 2pot s MET 32 N 1.13 1.42 0.24 1.61 -1.94 -0.57 -0.30 119.30 120.88 2pot s MET 32 Ca 0.33 -1.76 -0.05 0.00 -1.71 0.00 0.00 55.69 52.49 2pot s MET 32 Cb -0.17 -0.44 0.37 0.00 2.01 0.00 0.00 34.83 36.60 2pot s MET 32 CO 0.14 -0.23 1.80 0.87 -0.01 0.00 0.00 175.02 177.60 2pot h LYS 33 N 2.37 0.72 -0.45 2.03 1.79 -1.18 -2.20 116.57 119.66 2pot h LYS 33 Ca -0.39 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 2pot h LYS 33 Cb 1.24 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 2pot h LYS 33 CO 0.63 0.48 0.00 0.54 -1.08 0.00 0.00 179.45 180.02 2pot n ARG 34 N -4.77 2.04 -0.93 3.15 1.74 -1.26 -4.90 116.66 111.73 2pot n ARG 34 Ca 0.13 -1.58 0.00 0.00 -0.77 0.00 0.00 57.85 55.62 2pot n ARG 34 Cb 0.27 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 2pot n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pot n GLY 35 N 1.18 0.15 3.76 -0.13 0.00 -0.83 -4.16 105.19 105.16 2pot n GLY 35 Ca 0.15 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 2pot n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pot s VAL 36 N -1.37 4.61 -0.23 1.61 1.01 -1.26 -1.52 120.40 123.25 2pot s VAL 36 Ca 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 2pot s VAL 36 Cb 0.00 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 2pot s VAL 36 CO 0.00 0.38 -0.02 -0.63 0.00 0.00 0.00 175.10 174.83 2pot s ILE 37 N -1.15 3.50 0.08 2.22 1.01 0.68 -4.85 121.20 122.69 2pot s ILE 37 Ca 0.21 -0.52 -0.27 0.00 0.00 0.00 0.00 60.65 60.07 2pot s ILE 37 Cb -0.12 -2.64 -0.06 0.00 0.01 0.00 0.00 42.46 39.66 2pot s ILE 37 CO 0.12 0.36 0.86 -0.13 0.00 0.00 0.00 174.94 176.14 2pot s ARG 38 N 1.48 4.60 0.05 2.79 0.52 -1.26 -0.73 118.95 126.40 2pot s ARG 38 Ca 0.05 1.25 0.09 0.00 -0.52 0.00 0.00 55.73 56.60 2pot s ARG 38 Cb -0.15 -3.36 -0.03 0.00 0.52 0.00 0.00 34.95 31.93 2pot s ARG 38 CO -0.02 0.27 -0.24 0.95 0.02 0.00 0.00 175.30 176.28 2pot s THR 39 N -0.11 1.97 0.30 0.02 -4.23 0.21 -3.52 115.64 110.28 2pot s THR 39 Ca 0.42 -1.33 -0.30 0.00 -1.18 0.00 0.00 61.69 59.31 2pot s THR 39 Cb -0.22 -1.69 -0.12 0.00 1.34 0.00 0.00 72.50 71.81 2pot s THR 39 CO 0.26 0.30 1.55 -2.65 -0.54 0.00 0.00 174.62 173.55 2pot n PRO 40 N 1.79 2.61 -5.10 3.99 -0.02 -1.26 -1.25 135.00 135.76 2pot n PRO 40 Ca -0.17 0.93 -0.32 0.00 -2.02 0.00 0.00 63.50 61.92 2pot n PRO 40 Cb 0.52 -2.68 -0.15 0.00 -0.02 0.00 0.00 33.50 31.17 2pot n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pot s ALA 41 N -0.22 2.37 -0.19 3.55 0.00 -0.26 -4.83 121.76 122.18 2pot s ALA 41 Ca 0.62 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.52 2pot s ALA 41 Cb -0.51 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 2pot s ALA 41 CO 0.51 0.46 -0.03 0.12 0.00 0.00 0.00 175.76 176.82 2pot s PHE 42 N -0.35 2.98 -0.37 0.00 5.36 -1.26 -0.44 117.98 123.90 2pot s PHE 42 Ca 0.03 -0.59 -0.10 0.00 -0.96 0.00 0.00 56.93 55.30 2pot s PHE 42 Cb -0.12 -2.04 0.03 0.00 -0.34 0.00 0.00 43.02 40.55 2pot s PHE 42 CO 0.02 -0.29 0.19 -1.64 -1.46 0.00 0.00 175.22 172.03 2pot s MET 43 N 0.96 2.76 0.30 10.12 -1.94 0.28 -4.74 119.30 127.04 2pot s MET 43 Ca 0.00 -1.13 -0.30 0.00 -1.71 0.00 0.00 55.69 52.56 2pot s MET 43 Cb -0.15 -3.68 -0.12 0.00 2.01 0.00 0.00 34.83 32.89 2pot s MET 43 CO 0.01 -0.71 1.41 -2.30 -0.01 0.00 0.00 175.02 173.42 2pot n PRO 44 N 4.95 2.26 -3.15 2.03 -0.02 -1.26 -3.96 135.00 135.86 2pot n PRO 44 Ca -0.12 0.80 -0.40 0.00 -2.02 0.00 0.00 63.50 61.76 2pot n PRO 44 Cb 0.45 -2.46 -0.07 0.00 -0.02 0.00 0.00 33.50 31.40 2pot n PRO 44 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2pot s VAL 45 N -0.48 5.01 -0.95 -1.45 1.01 -1.26 -1.16 120.40 121.13 2pot s VAL 45 Ca 0.62 1.07 -0.00 0.00 0.00 0.00 0.00 61.98 63.66 2pot s VAL 45 Cb -0.58 -3.91 0.32 0.00 0.00 0.00 0.00 36.38 32.21 2pot s VAL 45 CO 0.55 0.06 1.54 0.61 0.00 0.00 0.00 175.10 177.86 2pot n GLY 46 N 4.17 5.74 3.63 4.51 0.00 0.22 -4.39 105.19 119.07 2pot n GLY 46 Ca -0.02 -2.65 -0.43 0.00 0.00 0.00 0.00 46.02 42.93 2pot n GLY 46 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pot s THR 47 N -3.84 3.02 0.00 2.61 2.01 -0.93 -1.89 115.64 116.62 2pot s THR 47 Ca 0.38 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.41 2pot s THR 47 Cb 0.16 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.65 2pot s THR 47 CO -0.06 -0.01 0.00 0.00 -0.69 0.00 0.00 174.62 173.86 2pot n ALA 48 N 9.74 0.00 -2.24 7.40 0.00 -1.26 -3.87 120.51 130.28 2pot n ALA 48 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.58 2pot n ALA 48 Cb 0.43 -0.48 -0.00 0.00 0.00 0.00 0.00 19.45 19.40 2pot n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pot n ALA 49 N -1.30 -0.35 -3.59 0.00 0.00 -0.79 -4.99 120.51 109.49 2pot n ALA 49 Ca 0.00 0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.39 2pot n ALA 49 Cb 0.48 -1.49 -0.07 0.00 0.00 0.00 0.00 19.45 18.37 2pot n ALA 49 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2pot s THR 50 N -2.59 0.00 -0.40 0.00 -1.32 -1.16 -4.81 115.64 105.36 2pot s THR 50 Ca 0.01 -0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.26 2pot s THR 50 Cb -0.00 -0.99 0.01 0.00 -1.51 0.00 0.00 72.50 70.01 2pot s THR 50 CO 0.01 -0.00 0.74 -0.69 -2.21 0.00 0.00 174.62 172.46 2pot s VAL 51 N -0.09 4.75 -0.48 5.08 1.01 -1.26 -2.20 120.40 127.21 2pot s VAL 51 Ca -0.03 0.59 -0.46 0.00 0.00 0.00 0.00 61.98 62.09 2pot s VAL 51 Cb -0.04 -4.21 -0.19 0.00 0.00 0.00 0.00 36.38 31.94 2pot s VAL 51 CO 0.04 -0.51 1.75 2.29 0.00 0.00 0.00 175.10 178.67 2pot n LYS 52 N 6.41 0.10 -1.00 2.72 2.85 -1.26 -0.93 118.16 127.06 2pot n LYS 52 Ca 0.01 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 2pot n LYS 52 Cb 0.48 -1.56 0.00 0.00 -0.65 0.00 0.00 35.03 33.30 2pot n LYS 52 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2pot n ALA 53 N 5.06 0.00 -3.20 0.58 0.00 -1.26 -4.95 120.51 116.74 2pot n ALA 53 Ca 0.37 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.57 2pot n ALA 53 Cb -0.04 -0.34 -0.16 0.00 0.00 0.00 0.00 19.45 18.91 2pot n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pot s LEU 54 N 0.00 1.75 0.68 0.00 1.43 -0.10 -4.63 118.68 117.81 2pot s LEU 54 Ca 0.00 -0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 52.67 2pot s LEU 54 Cb 0.00 -0.78 0.01 0.00 0.03 0.00 0.00 46.19 45.45 2pot s LEU 54 CO 0.00 0.07 1.16 -0.54 0.23 0.00 0.00 176.35 177.28 2pot s LYS 55 N 0.38 2.51 0.42 1.70 1.02 -1.26 -4.46 119.74 120.05 2pot s LYS 55 Ca -0.09 1.61 0.10 0.00 0.02 0.00 0.00 55.97 57.62 2pot s LYS 55 Cb -0.13 -1.89 0.90 0.00 -0.52 0.00 0.00 37.83 36.19 2pot s LYS 55 CO 0.02 -1.52 2.00 -1.35 -0.92 0.00 0.00 175.35 173.58 2pot h PRO 56 N -0.01 0.25 -0.61 -1.68 0.11 -1.87 0.30 132.00 128.49 2pot h PRO 56 Ca -0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2pot h PRO 56 Cb 1.27 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 2pot h PRO 56 CO 0.52 0.29 0.37 1.05 -0.21 0.00 0.00 178.00 180.02 2pot h GLU 57 N 0.25 0.81 -0.10 1.05 4.11 -1.90 -0.23 114.58 118.57 2pot h GLU 57 Ca 0.06 -0.06 -0.18 0.00 0.07 0.00 0.00 59.36 59.25 2pot h GLU 57 Cb 0.20 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2pot h GLU 57 CO 0.01 0.56 -0.68 1.15 0.07 0.00 0.00 179.01 180.12 2pot h THR 58 N 0.83 1.37 -0.96 -1.06 2.02 -1.32 -1.23 112.91 112.55 2pot h THR 58 Ca 0.22 -2.05 -0.00 0.00 0.77 0.00 0.00 66.41 65.34 2pot h THR 58 Cb -0.04 2.03 -0.05 0.00 -1.74 0.00 0.00 68.15 68.35 2pot h THR 58 CO -0.04 0.62 0.59 0.58 0.37 0.00 0.00 175.52 177.64 2pot h VAL 59 N 0.30 1.26 -0.46 3.16 2.07 -0.34 -2.32 116.25 119.92 2pot h VAL 59 Ca -0.02 -0.55 -0.12 0.00 0.82 0.00 0.00 66.70 66.84 2pot h VAL 59 Cb 1.25 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2pot h VAL 59 CO 0.12 0.27 -0.17 -0.09 0.02 0.00 0.00 177.57 177.72 2pot h ARG 60 N 1.32 0.89 -0.35 1.57 9.65 -0.82 -2.94 114.38 123.70 2pot h ARG 60 Ca 0.35 -0.35 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2pot h ARG 60 Cb -0.08 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.44 2pot h ARG 60 CO -0.07 0.99 0.21 0.00 2.80 0.00 0.00 179.97 183.90 2pot h ALA 61 N 1.01 1.70 0.00 2.80 0.00 -0.71 -0.47 119.26 123.59 2pot h ALA 61 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2pot h ALA 61 Cb 0.71 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2pot h ALA 61 CO 0.05 0.26 0.00 1.79 0.00 0.00 0.00 179.25 181.36 2pot h THR 62 N 0.49 0.00 0.00 0.00 1.35 -1.28 -3.46 112.91 110.00 2pot h THR 62 Ca 0.13 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2pot h THR 62 Cb -0.01 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 2pot h THR 62 CO -0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.86 2pot n GLY 63 N 0.41 1.20 3.75 5.82 0.00 -0.19 -4.60 105.19 111.58 2pot n GLY 63 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2pot n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pot s ALA 64 N -2.00 3.40 -0.25 4.61 0.00 -1.14 -4.93 121.76 121.45 2pot s ALA 64 Ca 0.00 0.88 0.20 0.00 0.00 0.00 0.00 51.96 53.04 2pot s ALA 64 Cb 0.00 -3.35 -0.29 0.00 0.00 0.00 0.00 23.12 19.49 2pot s ALA 64 CO 0.00 -0.21 0.53 -0.25 0.00 0.00 0.00 175.76 175.83 2pot n ASP 65 N 1.78 0.55 -3.61 0.00 8.00 -1.26 -4.61 116.55 117.39 2pot n ASP 65 Ca 0.01 -0.24 -0.16 0.00 0.71 0.00 0.00 54.79 55.12 2pot n ASP 65 Cb 0.45 1.69 -0.07 0.00 -0.02 0.00 0.00 41.12 43.17 2pot n ASP 65 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2pot s ILE 66 N -3.25 0.01 0.30 0.53 2.07 -1.26 -4.13 121.20 115.47 2pot s ILE 66 Ca -0.04 -0.10 0.07 0.00 -1.41 0.00 0.00 60.65 59.16 2pot s ILE 66 Cb 0.13 -0.87 -0.06 0.00 0.13 0.00 0.00 42.46 41.79 2pot s ILE 66 CO 0.82 -0.06 -0.04 0.27 -1.91 0.00 0.00 174.94 174.02 2pot s ILE 67 N -0.79 1.66 -0.06 2.00 -4.36 -1.18 -4.06 121.20 114.41 2pot s ILE 67 Ca -0.08 -2.11 0.05 0.00 -0.26 0.00 0.00 60.65 58.25 2pot s ILE 67 Cb -0.02 -2.55 -0.02 0.00 1.25 0.00 0.00 42.46 41.12 2pot s ILE 67 CO 0.06 -0.23 -0.21 -0.22 0.24 0.00 0.00 174.94 174.58 2pot s LEU 68 N -3.48 2.33 0.10 0.37 0.20 -0.31 -1.72 118.68 116.17 2pot s LEU 68 Ca 0.31 -0.39 0.07 0.00 0.69 0.00 0.00 54.13 54.81 2pot s LEU 68 Cb 0.05 -1.44 -0.04 0.00 -0.43 0.00 0.00 46.19 44.32 2pot s LEU 68 CO 0.13 0.28 -0.13 -0.83 -0.29 0.00 0.00 176.35 175.51 2pot s GLY 69 N -0.35 1.74 -0.21 7.98 0.00 0.17 0.72 107.32 117.37 2pot s GLY 69 Ca 0.02 -1.26 -0.07 0.00 0.00 0.00 0.00 44.72 43.42 2pot s GLY 69 CO 0.02 -1.22 0.05 -1.31 0.00 0.00 0.00 173.10 170.64 2pot s ASN 70 N -2.07 5.25 0.14 1.64 -0.87 -1.26 -1.68 114.94 116.08 2pot s ASN 70 Ca 0.19 -0.09 -0.18 0.00 -1.57 0.00 0.00 52.86 51.21 2pot s ASN 70 Cb -0.11 -1.91 -0.02 0.00 -0.02 0.00 0.00 41.25 39.19 2pot s ASN 70 CO 0.12 0.07 1.78 0.74 -2.57 0.00 0.00 177.10 177.24 2pot h THR 71 N 5.24 1.04 0.02 1.60 2.02 -1.87 -2.23 112.91 118.73 2pot h THR 71 Ca -0.36 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 2pot h THR 71 Cb 1.18 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2pot h THR 71 CO 0.63 0.06 -0.01 0.22 0.37 0.00 0.00 175.52 176.79 2pot h TYR 72 N 0.35 -0.03 0.30 3.16 3.20 -1.83 -0.71 116.97 121.40 2pot h TYR 72 Ca 0.11 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 2pot h TYR 72 Cb -0.01 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 2pot h TYR 72 CO -0.07 0.12 -0.19 0.45 -1.64 0.00 0.00 178.16 176.82 2pot h HIS 73 N -0.16 -0.49 0.00 -3.82 3.86 -1.92 -2.99 115.15 109.63 2pot h HIS 73 Ca -0.00 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 2pot h HIS 73 Cb 0.15 0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 2pot h HIS 73 CO -0.03 -0.29 -0.22 -0.07 0.86 0.00 0.00 177.93 178.18 2pot h LEU 74 N -0.47 0.00 -1.15 2.43 3.38 -1.39 -1.35 115.31 116.76 2pot h LEU 74 Ca -0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2pot h LEU 74 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2pot h LEU 74 CO 0.03 0.22 -0.33 0.00 0.09 0.00 0.00 178.44 178.45 2pot h MET 75 N 0.00 0.00 0.14 1.13 -0.00 -0.98 -0.57 114.93 114.65 2pot h MET 75 Ca -0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 59.70 59.41 2pot h MET 75 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.33 2pot h MET 75 CO 0.03 0.33 -1.47 -0.07 -0.00 0.00 0.00 176.91 175.73 2pot h LEU 76 N 0.00 0.46 -7.40 -0.10 3.38 -1.38 -3.34 115.31 106.93 2pot h LEU 76 Ca -0.00 -0.88 -0.33 0.00 0.09 0.00 0.00 57.88 56.75 2pot h LEU 76 Cb 0.77 -0.15 -0.37 0.00 0.09 0.00 0.00 40.66 41.00 2pot h LEU 76 CO 0.04 1.65 -0.73 -0.13 0.09 0.00 0.00 178.44 179.37 2pot s ARG 77 N -2.50 -0.05 0.00 1.13 0.52 -0.55 -4.01 118.95 113.49 2pot s ARG 77 Ca -0.18 0.31 0.14 0.00 -0.52 0.00 0.00 55.73 55.47 2pot s ARG 77 Cb 0.04 -0.38 0.51 0.00 0.52 0.00 0.00 34.95 35.64 2pot s ARG 77 CO 0.80 -0.26 1.38 -0.35 0.02 0.00 0.00 175.30 176.89 2pot n PRO 78 N 4.79 1.63 0.00 3.54 -0.04 -1.24 -4.02 135.00 139.67 2pot n PRO 78 Ca -0.14 -0.96 0.00 0.00 -0.04 0.00 0.00 63.50 62.36 2pot n PRO 78 Cb 0.50 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 2pot n PRO 78 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pot n GLY 79 N 1.00 2.67 0.17 0.55 0.00 -0.23 -4.68 105.19 104.68 2pot n GLY 79 Ca 0.12 -1.70 -0.16 0.00 0.00 0.00 0.00 46.02 44.28 2pot n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pot h ALA 80 N 0.00 0.21 -0.02 4.61 0.00 -1.69 -2.49 119.26 119.87 2pot h ALA 80 Ca 0.00 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 2pot h ALA 80 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2pot h ALA 80 CO 0.00 0.43 -0.35 0.93 0.00 0.00 0.00 179.25 180.25 2pot h GLU 81 N 0.17 0.05 -0.35 0.00 4.39 -1.92 0.55 114.58 117.47 2pot h GLU 81 Ca -0.04 -0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.49 2pot h GLU 81 Cb 1.20 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 2pot h GLU 81 CO 0.11 0.39 -0.38 -0.09 -1.16 0.00 0.00 179.01 177.89 2pot h ARG 82 N 0.04 0.82 -0.35 2.33 2.43 -1.81 0.49 114.38 118.33 2pot h ARG 82 Ca 0.00 -0.42 -0.15 0.00 -0.81 0.00 0.00 59.98 58.60 2pot h ARG 82 Cb 0.64 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 2pot h ARG 82 CO 0.05 1.06 -0.37 0.82 -1.51 0.00 0.00 179.97 180.01 2pot h ILE 83 N 0.68 1.28 -0.14 1.20 2.04 -0.94 -1.28 117.51 120.35 2pot h ILE 83 Ca 0.06 -1.54 0.01 0.00 1.00 0.00 0.00 64.86 64.38 2pot h ILE 83 Cb 0.94 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 2pot h ILE 83 CO 0.09 0.51 0.07 0.00 0.00 0.00 0.00 178.15 178.82 2pot h ALA 84 N 0.90 0.16 -0.34 1.87 0.00 -0.71 0.17 119.26 121.31 2pot h ALA 84 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2pot h ALA 84 Cb 0.93 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2pot h ALA 84 CO 0.09 -0.37 0.23 1.57 0.00 0.00 0.00 179.25 180.76 2pot h LYS 85 N 0.15 0.45 -0.20 0.00 -0.00 -0.43 -1.17 116.57 115.38 2pot h LYS 85 Ca 0.05 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.68 2pot h LYS 85 Cb 0.01 -0.10 0.00 0.00 -0.00 0.00 0.00 32.23 32.13 2pot h LYS 85 CO -0.03 0.30 0.00 1.28 -0.00 0.00 0.00 179.45 180.99 2pot n LEU 86 N -4.49 1.07 0.00 7.07 4.77 -0.53 -4.86 117.00 120.03 2pot n LEU 86 Ca 0.02 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 2pot n LEU 86 Cb 0.07 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2pot n LEU 86 CO 0.35 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 2pot n GLY 87 N 0.82 0.85 0.00 -0.72 0.00 -0.44 -4.61 105.19 101.09 2pot n GLY 87 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2pot n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pot n GLY 88 N -0.91 1.78 0.27 -0.02 0.00 0.56 -4.50 105.19 102.37 2pot n GLY 88 Ca 0.00 -1.83 0.03 0.00 0.00 0.00 0.00 46.02 44.22 2pot n GLY 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2pot h LEU 89 N 0.00 0.35 0.22 0.99 5.85 -1.16 -1.32 115.31 120.23 2pot h LEU 89 Ca 0.00 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2pot h LEU 89 Cb 0.00 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2pot h LEU 89 CO 0.00 0.38 -0.11 0.45 -0.34 0.00 0.00 178.44 178.83 2pot h HIS 90 N 0.38 -0.27 0.11 1.25 3.86 -1.78 -1.36 115.15 117.33 2pot h HIS 90 Ca 0.09 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2pot h HIS 90 Cb 0.19 0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 2pot h HIS 90 CO 0.01 -0.10 -0.10 1.03 0.86 0.00 0.00 177.93 179.63 2pot h SER 91 N -0.39 -0.25 -0.31 2.45 0.87 -1.76 0.49 113.55 114.66 2pot h SER 91 Ca -0.03 0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.62 2pot h SER 91 Cb 0.30 0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 62.27 2pot h SER 91 CO 0.05 -0.15 -0.20 0.15 -0.53 0.00 0.00 176.83 176.15 2pot h PHE 92 N -0.22 -0.50 -0.02 2.24 3.57 -1.08 -2.94 116.94 117.99 2pot h PHE 92 Ca -0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2pot h PHE 92 Cb 0.21 0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2pot h PHE 92 CO -0.11 -0.27 -0.38 0.00 -2.23 0.00 0.00 178.31 175.33 2pot n MET 93 N -5.36 1.38 -2.17 1.11 0.00 -0.53 -4.97 117.12 106.59 2pot n MET 93 Ca 0.00 -1.12 -0.00 0.00 0.00 0.00 0.00 57.70 56.58 2pot n MET 93 Cb 0.27 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 32.01 2pot n MET 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2pot n GLY 94 N 1.40 0.54 3.04 3.17 0.00 0.11 -4.82 105.19 108.64 2pot n GLY 94 Ca 0.10 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 2pot n GLY 94 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2pot s TRP 95 N -2.33 3.16 -2.54 1.61 -0.11 -0.90 -4.75 118.94 113.09 2pot s TRP 95 Ca 0.00 -2.29 0.25 0.00 1.22 0.00 0.00 56.10 55.28 2pot s TRP 95 Cb -0.00 -1.96 0.74 0.00 -1.50 0.00 0.00 33.47 30.75 2pot s TRP 95 CO 0.00 -0.87 1.57 -0.40 -4.62 0.00 0.00 176.95 172.63 2pot n ASP 96 N 4.46 2.03 -4.77 5.86 5.68 -1.26 -4.46 116.55 124.09 2pot n ASP 96 Ca -0.12 -1.70 -0.23 0.00 -0.50 0.00 0.00 54.79 52.24 2pot n ASP 96 Cb 0.42 -0.05 0.09 0.00 -1.14 0.00 0.00 41.12 40.44 2pot n ASP 96 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2pot s ARG 97 N -1.90 1.93 0.75 0.11 0.52 -1.26 -4.83 118.95 114.27 2pot s ARG 97 Ca 0.35 -1.01 -0.15 0.00 -0.52 0.00 0.00 55.73 54.39 2pot s ARG 97 Cb 0.20 -2.37 0.00 0.00 0.52 0.00 0.00 34.95 33.30 2pot s ARG 97 CO 0.31 -1.24 0.80 -2.30 0.02 0.00 0.00 175.30 172.89 2pot n PRO 98 N -2.70 0.31 -3.85 3.54 -0.02 -1.26 -4.93 135.00 126.09 2pot n PRO 98 Ca 0.13 0.16 -0.17 0.00 -2.02 0.00 0.00 63.50 61.60 2pot n PRO 98 Cb 0.60 -2.08 -0.16 0.00 -0.02 0.00 0.00 33.50 31.84 2pot n PRO 98 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2pot s ILE 99 N -1.95 0.08 -0.18 4.25 1.01 -1.26 -3.09 121.20 120.05 2pot s ILE 99 Ca 0.69 0.16 -0.09 0.00 0.00 0.00 0.00 60.65 61.41 2pot s ILE 99 Cb -0.33 -0.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.90 2pot s ILE 99 CO 0.55 0.13 0.12 -0.22 0.00 0.00 0.00 174.94 175.52 2pot s LEU 100 N 1.12 4.18 -0.15 2.97 2.96 -0.70 -0.54 118.68 128.52 2pot s LEU 100 Ca -0.08 0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 54.05 2pot s LEU 100 Cb -0.13 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 2pot s LEU 100 CO -0.02 0.22 -0.07 0.42 -1.32 0.00 0.00 176.35 175.58 2pot s THR 101 N 0.10 3.53 0.99 3.68 -4.23 -0.68 -0.66 115.64 118.38 2pot s THR 101 Ca 0.09 -0.48 -0.12 0.00 -1.18 0.00 0.00 61.69 60.00 2pot s THR 101 Cb -0.11 -2.53 0.19 0.00 1.34 0.00 0.00 72.50 71.38 2pot s THR 101 CO -0.01 0.50 1.08 -0.62 -0.54 0.00 0.00 174.62 175.03 2pot s ASP 102 N 0.50 2.54 0.07 3.99 3.68 -0.68 -2.81 116.67 123.95 2pot s ASP 102 Ca -0.05 1.50 0.23 0.00 2.13 0.00 0.00 52.55 56.36 2pot s ASP 102 Cb -0.15 -2.18 0.18 0.00 -1.45 0.00 0.00 42.92 39.32 2pot s ASP 102 CO 0.03 -3.23 1.15 -1.54 0.13 0.00 0.00 175.17 171.72 2pot n SER 103 N -4.27 0.64 0.00 -0.34 3.41 -1.26 -3.39 113.62 108.40 2pot n SER 103 Ca 0.06 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2pot n SER 103 Cb 0.55 0.55 0.00 0.00 -0.26 0.00 0.00 64.21 65.05 2pot n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pot n GLY 104 N 1.37 1.81 0.23 5.00 0.00 -1.26 -4.66 105.19 107.68 2pot n GLY 104 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 2pot n GLY 104 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2pot h GLY 105 N 0.00 0.85 -5.34 -0.02 0.00 -1.92 -3.43 103.07 93.21 2pot h GLY 105 Ca 0.00 -0.18 -0.69 0.00 0.00 0.00 0.00 47.33 46.46 2pot h GLY 105 CO 0.00 0.08 3.46 2.98 0.00 0.00 0.00 176.54 183.06 2pot n TYR 106 N -4.89 2.68 0.00 5.60 9.36 -1.26 -4.60 117.16 124.05 2pot n TYR 106 Ca 0.07 -3.03 0.00 0.00 3.32 0.00 0.00 57.90 58.27 2pot n TYR 106 Cb 0.20 -2.40 0.00 0.00 -0.63 0.00 0.00 39.34 36.51 2pot n TYR 106 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 2pot n SER 118 N 3.84 0.00 0.29 2.98 3.41 -0.66 -5.08 113.62 118.40 2pot n SER 118 Ca 0.70 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 59.50 2pot n SER 118 Cb 0.27 0.00 0.85 0.00 -0.26 0.00 0.00 64.21 65.07 2pot n SER 118 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2pot h GLU 119 N 0.00 0.00 0.00 4.33 4.57 -2.02 -2.14 114.58 119.31 2pot h GLU 119 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 2pot h GLU 119 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2pot h GLU 119 CO 0.00 0.00 -0.55 0.93 -1.18 0.00 0.00 179.01 178.21 2pot h GLU 120 N 0.00 0.00 0.00 1.92 3.07 -2.02 -3.49 114.58 114.05 2pot h GLU 120 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2pot h GLU 120 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 2pot h GLU 120 CO 0.00 0.22 0.00 0.41 -1.40 0.00 0.00 179.01 178.24 2pot n GLY 121 N 1.20 0.21 3.18 -3.84 0.00 -0.81 -4.54 105.19 100.60 2pot n GLY 121 Ca 0.01 -1.39 -0.26 0.00 0.00 0.00 0.00 46.02 44.37 2pot n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pot s VAL 122 N -3.36 1.51 -0.11 1.61 -7.23 0.50 -1.65 120.40 111.68 2pot s VAL 122 Ca 0.00 -0.80 -0.05 0.00 -1.81 0.00 0.00 61.98 59.32 2pot s VAL 122 Cb 0.00 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 2pot s VAL 122 CO 0.00 0.43 0.10 0.28 -0.31 0.00 0.00 175.10 175.60 2pot s THR 123 N -0.26 5.14 -0.00 5.32 -1.32 -1.26 -0.54 115.64 122.71 2pot s THR 123 Ca 0.03 0.07 -0.13 0.00 -1.21 0.00 0.00 61.69 60.45 2pot s THR 123 Cb -0.09 -3.22 0.02 0.00 -1.51 0.00 0.00 72.50 67.69 2pot s THR 123 CO 0.01 0.61 0.26 0.72 -2.21 0.00 0.00 174.62 174.01 2pot s PHE 124 N -0.96 -0.11 -1.11 9.09 -0.71 -1.26 -4.96 117.98 117.95 2pot s PHE 124 Ca 0.14 0.11 -0.08 0.00 -1.04 0.00 0.00 56.93 56.07 2pot s PHE 124 Cb -0.12 0.05 0.28 0.00 -1.21 0.00 0.00 43.02 42.03 2pot s PHE 124 CO 0.03 -0.38 1.25 0.36 -1.34 0.00 0.00 175.22 175.15 2pot n LYS 125 N 1.23 3.83 0.00 1.99 0.00 -1.26 -4.67 118.16 119.29 2pot n LYS 125 Ca -0.22 -4.45 0.00 0.00 -0.00 0.00 0.00 58.31 53.64 2pot n LYS 125 Cb 0.56 -2.56 0.00 0.00 -0.00 0.00 0.00 35.03 33.03 2pot n LYS 125 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 2pot n HIS 133 N 2.39 0.00 -5.01 5.58 -0.00 -1.26 -5.28 115.22 111.63 2pot n HIS 133 Ca 0.25 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.69 2pot n HIS 133 Cb 0.37 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.20 2pot n HIS 133 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2pot s MET 134 N -4.12 2.16 -0.03 -1.40 1.00 -1.26 -4.42 119.30 111.23 2pot s MET 134 Ca 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 55.69 54.98 2pot s MET 134 Cb 0.00 -1.82 0.01 0.00 0.00 0.00 0.00 34.83 33.02 2pot s MET 134 CO 0.00 0.28 -0.06 -1.17 0.00 0.00 0.00 175.02 174.07 2pot s LEU 135 N 0.02 1.59 0.18 -0.03 2.96 0.29 -4.96 118.68 118.73 2pot s LEU 135 Ca -0.05 -0.13 -0.10 0.00 -0.22 0.00 0.00 54.13 53.63 2pot s LEU 135 Cb -0.13 -0.43 -0.01 0.00 0.50 0.00 0.00 46.19 46.13 2pot s LEU 135 CO 0.03 0.00 0.32 -0.94 -1.32 0.00 0.00 176.35 174.44 2pot s SER 136 N 0.50 0.01 0.31 3.68 1.04 -1.26 0.19 113.70 118.16 2pot s SER 136 Ca -0.07 -0.88 0.06 0.00 0.48 0.00 0.00 55.95 55.54 2pot s SER 136 Cb -0.10 0.46 0.74 0.00 0.10 0.00 0.00 66.02 67.22 2pot s SER 136 CO 0.00 -0.94 1.79 -0.65 0.98 0.00 0.00 173.24 174.43 2pot h PRO 137 N 2.48 0.75 -0.12 4.02 0.11 -1.89 -0.15 132.00 137.21 2pot h PRO 137 Ca -0.31 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 2pot h PRO 137 Cb 1.23 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2pot h PRO 137 CO 0.46 0.49 -0.06 0.93 -0.21 0.00 0.00 178.00 179.61 2pot h GLU 138 N 0.77 0.26 -0.75 1.05 3.07 -1.91 -1.70 114.58 115.36 2pot h GLU 138 Ca 0.56 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 59.29 2pot h GLU 138 Cb 0.86 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.73 2pot h GLU 138 CO -0.34 0.60 0.42 -0.09 -1.40 0.00 0.00 179.01 178.19 2pot h ARG 139 N -0.09 1.04 -0.24 2.33 9.65 -1.89 -1.89 114.38 123.29 2pot h ARG 139 Ca 0.03 -0.12 0.03 0.00 -1.10 0.00 0.00 59.98 58.82 2pot h ARG 139 Cb 0.52 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 28.87 2pot h ARG 139 CO 0.02 0.77 0.06 1.03 2.80 0.00 0.00 179.97 184.65 2pot h SER 140 N 1.03 0.05 -0.12 -3.80 0.87 -0.91 0.17 113.55 110.84 2pot h SER 140 Ca 0.26 0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.73 2pot h SER 140 Cb 0.02 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 2pot h SER 140 CO -0.04 0.06 -0.34 0.40 -0.53 0.00 0.00 176.83 176.37 2pot h ILE 141 N 0.16 1.29 -0.25 2.23 5.03 -1.14 -0.78 117.51 124.06 2pot h ILE 141 Ca 0.11 -1.48 -0.14 0.00 -0.12 0.00 0.00 64.86 63.23 2pot h ILE 141 Cb 0.09 1.44 -0.01 0.00 -3.03 0.00 0.00 36.82 35.31 2pot h ILE 141 CO -0.13 0.47 -0.41 -0.08 -0.68 0.00 0.00 178.15 177.33 2pot h GLU 142 N 0.53 0.59 0.06 2.37 4.57 -1.03 0.16 114.58 121.81 2pot h GLU 142 Ca 0.06 -0.30 -0.00 0.00 -1.18 0.00 0.00 59.36 57.93 2pot h GLU 142 Cb 0.84 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 2pot h GLU 142 CO 0.07 0.89 -0.03 0.82 -1.18 0.00 0.00 179.01 179.59 2pot h ILE 143 N 0.48 1.10 -0.23 2.32 2.04 -0.49 0.22 117.51 122.96 2pot h ILE 143 Ca 0.04 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.38 2pot h ILE 143 Cb 0.92 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 2pot h ILE 143 CO 0.08 0.13 0.15 1.56 0.00 0.00 0.00 178.15 180.07 2pot h GLN 144 N -0.31 0.30 -0.02 2.37 4.20 -1.01 0.90 115.11 121.54 2pot h GLN 144 Ca -0.01 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.69 2pot h GLN 144 Cb 0.27 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2pot h GLN 144 CO 0.01 0.20 -0.03 1.25 -0.67 0.00 0.00 178.83 179.59 2pot h HIS 145 N 0.31 -0.08 -0.36 2.96 2.76 -0.37 -1.70 115.15 118.67 2pot h HIS 145 Ca 0.08 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2pot h HIS 145 Cb -0.04 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 2pot h HIS 145 CO -0.00 -0.05 0.16 -0.07 -1.30 0.00 0.00 177.93 176.67 2pot h LEU 146 N -0.05 0.44 -1.00 0.26 3.38 0.17 -1.28 115.31 117.23 2pot h LEU 146 Ca 0.02 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2pot h LEU 146 Cb 0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2pot h LEU 146 CO -0.05 0.39 -0.42 -0.07 0.09 0.00 0.00 178.44 178.38 2pot h LEU 147 N 0.50 0.00 0.00 1.67 3.38 -0.87 -3.34 115.31 116.66 2pot h LEU 147 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2pot h LEU 147 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2pot h LEU 147 CO -0.02 0.42 0.00 0.61 0.09 0.00 0.00 178.44 179.55 2pot n GLY 148 N 0.07 0.54 3.60 0.83 0.00 -0.48 -0.71 105.19 109.04 2pot n GLY 148 Ca -0.01 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 2pot n GLY 148 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2pot n SER 149 N 1.78 0.97 -0.01 1.61 2.88 -0.87 -4.90 113.62 115.09 2pot n SER 149 Ca 0.00 0.95 -0.22 0.00 -1.33 0.00 0.00 58.87 58.28 2pot n SER 149 Cb 0.40 -1.35 -0.14 0.00 -0.75 0.00 0.00 64.21 62.38 2pot n SER 149 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2pot h ASP 150 N 1.18 0.35 -3.31 -3.46 5.19 -1.18 -3.45 116.42 111.75 2pot h ASP 150 Ca -0.46 -0.84 -0.67 0.00 -0.62 0.00 0.00 57.03 54.44 2pot h ASP 150 Cb 1.35 -0.11 -0.34 0.00 0.18 0.00 0.00 39.33 40.41 2pot h ASP 150 CO 0.55 1.72 -0.81 -0.63 -3.12 0.00 0.00 179.24 176.95 2pot s ILE 151 N -2.50 2.44 -0.12 0.35 1.01 -0.76 -0.20 121.20 121.42 2pot s ILE 151 Ca -0.22 -0.98 -0.14 0.00 0.00 0.00 0.00 60.65 59.30 2pot s ILE 151 Cb 0.06 -2.14 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 2pot s ILE 151 CO 0.74 0.38 0.33 -0.69 0.00 0.00 0.00 174.94 175.70 2pot s VAL 152 N 1.30 5.25 -0.14 2.92 1.01 0.88 -1.68 120.40 129.94 2pot s VAL 152 Ca 0.02 0.64 -0.10 0.00 0.00 0.00 0.00 61.98 62.54 2pot s VAL 152 Cb -0.15 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 2pot s VAL 152 CO -0.09 0.44 0.18 -0.04 0.00 0.00 0.00 175.10 175.59 2pot s MET 153 N 0.05 3.84 0.49 2.72 1.00 -1.12 -0.48 119.30 125.80 2pot s MET 153 Ca 0.19 -0.09 -0.23 0.00 0.00 0.00 0.00 55.69 55.57 2pot s MET 153 Cb -0.14 -3.30 -0.08 0.00 0.00 0.00 0.00 34.83 31.31 2pot s MET 153 CO 0.07 0.54 1.14 0.00 0.00 0.00 0.00 175.02 176.77 2pot n ALA 154 N 2.70 0.78 -2.68 3.03 0.00 -0.17 -4.41 120.51 119.75 2pot n ALA 154 Ca -0.17 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2pot n ALA 154 Cb 0.53 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 2pot n ALA 154 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2pot s PHE 155 N -1.31 3.66 0.12 0.00 2.19 -1.26 -4.66 117.98 116.72 2pot s PHE 155 Ca 0.67 1.69 -0.00 0.00 0.33 0.00 0.00 56.93 59.62 2pot s PHE 155 Cb -0.48 -3.13 -0.04 0.00 -1.31 0.00 0.00 43.02 38.06 2pot s PHE 155 CO 0.53 -0.05 0.02 0.16 1.83 0.00 0.00 175.22 177.71 2pot s ASP 156 N 0.98 0.64 -0.55 6.13 -4.77 -1.26 -4.30 116.67 113.53 2pot s ASP 156 Ca 0.52 -1.14 0.03 0.00 -3.30 0.00 0.00 52.55 48.65 2pot s ASP 156 Cb -0.21 0.22 0.14 0.00 -1.09 0.00 0.00 42.92 41.97 2pot s ASP 156 CO 0.28 -0.64 0.31 -1.83 0.70 0.00 0.00 175.17 173.99 2pot s GLU 157 N -3.97 2.14 0.16 2.11 1.03 -1.26 -4.51 118.70 114.40 2pot s GLU 157 Ca 0.20 -2.64 -0.33 0.00 0.03 0.00 0.00 54.97 52.22 2pot s GLU 157 Cb 0.07 -3.42 -0.16 0.00 -0.80 0.00 0.00 34.13 29.83 2pot s GLU 157 CO -0.00 -1.13 1.24 0.00 -1.33 0.00 0.00 175.26 174.03 2pot s THR 159 N -0.01 4.01 0.16 0.00 2.01 -1.26 -5.01 115.64 115.54 2pot s THR 159 Ca 0.75 -0.81 -0.34 0.00 0.31 0.00 0.00 61.69 61.60 2pot s THR 159 Cb -0.85 -5.02 -0.14 0.00 0.01 0.00 0.00 72.50 66.50 2pot s THR 159 CO 0.50 -1.88 1.52 -0.81 -0.69 0.00 0.00 174.62 173.26 2pot n PRO 160 N 8.63 2.01 -3.38 4.92 -0.04 -1.26 -4.72 135.00 141.16 2pot n PRO 160 Ca 0.31 0.72 -0.38 0.00 -0.04 0.00 0.00 63.50 64.11 2pot n PRO 160 Cb 0.51 -2.46 -0.07 0.00 -0.04 0.00 0.00 33.50 31.44 2pot n PRO 160 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2pot s TYR 161 N 0.70 3.43 0.55 0.54 5.04 -1.26 -3.18 117.35 123.16 2pot s TYR 161 Ca 0.78 0.70 -0.08 0.00 -2.44 0.00 0.00 57.07 56.03 2pot s TYR 161 Cb -0.71 -2.52 -0.03 0.00 0.35 0.00 0.00 41.96 39.05 2pot s TYR 161 CO 0.41 0.07 0.89 -1.25 -1.34 0.00 0.00 175.55 174.34 2pot s PRO 162 N 1.01 3.52 0.00 4.97 0.04 -1.26 -4.94 135.00 138.33 2pot s PRO 162 Ca 0.21 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2pot s PRO 162 Cb -0.15 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.15 2pot s PRO 162 CO 0.08 -0.39 0.00 0.00 0.04 0.00 0.00 177.00 176.73 2pot n ALA 163 N -2.49 0.00 -0.79 8.56 0.00 -1.19 -5.17 120.51 119.43 2pot n ALA 163 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2pot n ALA 163 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2pot n ALA 163 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2pot n THR 164 N 0.00 0.00 -0.09 0.00 5.66 -1.26 -3.39 114.28 115.20 2pot n THR 164 Ca 0.00 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 2pot n THR 164 Cb 0.00 -0.32 -0.00 0.00 -1.55 0.00 0.00 70.33 68.46 2pot n THR 164 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 2pot h PRO 165 N 2.20 -0.17 0.00 1.09 0.11 -1.99 0.42 132.00 133.67 2pot h PRO 165 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2pot h PRO 165 Cb 0.00 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.15 2pot h PRO 165 CO 0.00 -0.11 0.00 -1.13 -0.21 0.00 0.00 178.00 176.55 2pot n SER 166 N -5.37 0.00 -0.12 -2.05 3.41 -1.26 -2.19 113.62 106.03 2pot n SER 166 Ca 0.01 -1.57 -0.22 0.00 -0.26 0.00 0.00 58.87 56.82 2pot n SER 166 Cb 0.28 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.14 2pot n SER 166 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2pot n ARG 167 N -0.71 0.56 0.26 4.33 0.00 -0.13 -4.09 116.66 116.88 2pot n ARG 167 Ca 0.10 0.19 0.13 0.00 -0.00 0.00 0.00 57.85 58.27 2pot n ARG 167 Cb 0.05 -1.43 0.72 0.00 0.00 0.00 0.00 32.46 31.79 2pot n ARG 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2pot h ALA 168 N -0.48 1.27 0.00 5.13 0.00 -0.04 -0.72 119.26 124.43 2pot h ALA 168 Ca -0.59 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2pot h ALA 168 Cb 1.68 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2pot h ALA 168 CO -0.24 0.15 -0.92 0.00 0.00 0.00 0.00 179.25 178.23 2pot h ALA 169 N 1.88 0.50 0.31 0.00 0.00 -1.67 0.90 119.26 121.18 2pot h ALA 169 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2pot h ALA 169 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2pot h ALA 169 CO 0.02 0.00 -0.15 0.66 0.00 0.00 0.00 179.25 179.78 2pot h SER 170 N 0.00 -0.35 -0.70 0.00 4.64 -1.33 0.16 113.55 115.97 2pot h SER 170 Ca 0.00 -0.16 0.12 0.00 -0.47 0.00 0.00 61.79 61.28 2pot h SER 170 Cb 0.93 0.09 -0.08 0.00 -0.31 0.00 0.00 62.40 63.02 2pot h SER 170 CO 0.00 0.12 0.28 -1.28 -0.87 0.00 0.00 176.83 175.08 2pot h SER 171 N -0.98 0.27 -0.61 4.97 0.87 -1.32 -1.01 113.55 115.75 2pot h SER 171 Ca -0.04 0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.54 2pot h SER 171 Cb 0.49 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 2pot h SER 171 CO 0.07 0.13 0.12 -0.03 -0.53 0.00 0.00 176.83 176.59 2pot h MET 172 N 0.45 0.99 0.08 2.24 -1.53 -0.82 -2.57 114.93 113.77 2pot h MET 172 Ca 0.37 -0.26 0.02 0.00 -3.44 0.00 0.00 59.70 56.39 2pot h MET 172 Cb 0.50 -0.12 -0.04 0.00 -0.55 0.00 0.00 31.60 31.39 2pot h MET 172 CO -0.36 0.92 -0.32 0.93 0.14 0.00 0.00 176.91 178.23 2pot h GLU 173 N 0.90 -0.50 -0.82 0.39 5.08 0.24 -1.38 114.58 118.49 2pot h GLU 173 Ca 0.19 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.65 2pot h GLU 173 Cb 0.40 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 2pot h GLU 173 CO 0.01 -0.34 0.49 0.07 -1.00 0.00 0.00 179.01 178.24 2pot h ARG 174 N -0.52 0.84 -0.50 2.33 0.11 -1.16 -1.29 114.38 114.18 2pot h ARG 174 Ca 0.04 -0.05 0.09 0.00 0.10 0.00 0.00 59.98 60.16 2pot h ARG 174 Cb 0.57 -0.19 -0.07 0.00 1.11 0.00 0.00 29.97 31.39 2pot h ARG 174 CO -0.21 0.55 0.10 0.77 0.10 0.00 0.00 179.97 181.28 2pot h SER 175 N 0.86 -0.00 -0.46 0.08 0.02 -0.94 0.74 113.55 113.85 2pot h SER 175 Ca 0.37 0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 61.33 2pot h SER 175 Cb 0.24 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2pot h SER 175 CO -0.20 0.03 -0.02 0.24 -1.14 0.00 0.00 176.83 175.74 2pot h MET 176 N 0.23 0.89 0.00 3.45 2.86 -0.77 0.31 114.93 121.90 2pot h MET 176 Ca 0.25 -0.26 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 2pot h MET 176 Cb 0.34 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 2pot h MET 176 CO -0.33 0.89 -0.47 0.00 1.06 0.00 0.00 176.91 178.07 2pot h ARG 177 N 0.82 0.00 0.00 1.72 3.08 0.02 -2.35 114.38 117.68 2pot h ARG 177 Ca 0.15 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.09 2pot h ARG 177 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2pot h ARG 177 CO 0.03 0.47 -0.55 -1.49 -1.07 0.00 0.00 179.97 177.35 2pot h TRP 178 N 0.00 0.00 -0.49 3.04 6.55 0.19 -1.58 115.95 123.66 2pot h TRP 178 Ca -0.00 0.00 -0.11 0.00 0.95 0.00 0.00 58.89 59.72 2pot h TRP 178 Cb 0.91 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.20 2pot h TRP 178 CO 0.00 0.55 -0.14 0.00 -1.05 0.00 0.00 178.44 177.80 2pot h ALA 179 N 1.45 0.68 -0.51 1.49 0.00 -0.05 0.42 119.26 122.73 2pot h ALA 179 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2pot h ALA 179 Cb 1.12 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2pot h ALA 179 CO 0.07 0.61 0.34 -0.22 0.00 0.00 0.00 179.25 180.05 2pot h LYS 180 N 0.81 0.68 -0.62 0.00 1.63 -1.30 0.78 116.57 118.55 2pot h LYS 180 Ca 0.12 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.83 2pot h LYS 180 Cb 0.71 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 32.16 2pot h LYS 180 CO 0.05 0.45 0.20 0.00 -3.45 0.00 0.00 179.45 176.71 2pot h ARG 181 N 0.70 0.94 -0.47 1.90 3.08 -0.41 -1.98 114.38 118.14 2pot h ARG 181 Ca 0.19 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 2pot h ARG 181 Cb -0.08 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 2pot h ARG 181 CO -0.04 0.80 -0.07 0.77 -1.07 0.00 0.00 179.97 180.36 2pot h SER 182 N 0.91 0.87 -0.79 7.04 0.02 0.27 -2.02 113.55 119.85 2pot h SER 182 Ca 0.21 -0.34 0.10 0.00 -0.84 0.00 0.00 61.79 60.91 2pot h SER 182 Cb 0.25 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 62.48 2pot h SER 182 CO -0.01 1.01 0.43 -0.09 -1.14 0.00 0.00 176.83 177.03 2pot h ARG 183 N 0.72 0.69 -0.16 3.45 9.65 -0.42 -0.95 114.38 127.36 2pot h ARG 183 Ca 0.12 -0.04 -0.21 0.00 -1.10 0.00 0.00 59.98 58.75 2pot h ARG 183 Cb 0.61 -0.16 0.01 0.00 -1.39 0.00 0.00 29.97 29.04 2pot h ARG 183 CO 0.04 0.46 -0.73 -0.44 2.80 0.00 0.00 179.97 182.09 2pot h ASP 184 N 0.71 0.92 -0.69 -3.80 3.32 -1.16 -1.47 116.42 114.25 2pot h ASP 184 Ca 0.39 -0.62 -0.04 0.00 0.02 0.00 0.00 57.03 56.77 2pot h ASP 184 Cb 0.39 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 2pot h ASP 184 CO -0.26 1.39 0.26 0.00 -1.72 0.00 0.00 179.24 178.90 2pot h ALA 185 N 0.55 0.90 -0.29 3.45 0.00 -1.12 -1.75 119.26 120.99 2pot h ALA 185 Ca -0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2pot h ALA 185 Cb 1.36 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2pot h ALA 185 CO 0.15 0.54 0.13 0.35 0.00 0.00 0.00 179.25 180.42 2pot h PHE 186 N 0.99 0.44 0.00 0.00 3.04 -1.11 -2.68 116.94 117.62 2pot h PHE 186 Ca 0.23 -0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.15 2pot h PHE 186 Cb 0.24 -0.13 -0.00 0.00 2.56 0.00 0.00 35.95 38.62 2pot h PHE 186 CO 0.02 0.41 -0.02 -0.44 -2.02 0.00 0.00 178.31 176.26 2pot h ASP 187 N 0.33 0.00 0.69 0.41 3.32 -1.03 -2.52 116.42 117.62 2pot h ASP 187 Ca 0.10 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 2pot h ASP 187 Cb 0.15 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2pot h ASP 187 CO -0.01 0.02 -0.70 0.28 -1.72 0.00 0.00 179.24 177.11 2pot h SER 188 N 0.00 0.01 -2.39 6.45 0.02 -0.98 -3.37 113.55 113.29 2pot h SER 188 Ca -0.00 -0.01 -0.65 0.00 -0.84 0.00 0.00 61.79 60.29 2pot h SER 188 Cb 0.52 -0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.91 2pot h SER 188 CO 0.00 0.71 0.77 -0.13 -1.14 0.00 0.00 176.83 177.04 2pot s ARG 189 N -3.42 3.35 0.29 3.45 0.52 -0.95 -4.85 118.95 117.34 2pot s ARG 189 Ca -0.01 -1.20 0.26 0.00 -0.52 0.00 0.00 55.73 54.25 2pot s ARG 189 Cb 0.12 -4.61 0.88 0.00 0.52 0.00 0.00 34.95 31.86 2pot s ARG 189 CO 0.78 -1.85 1.76 0.87 0.02 0.00 0.00 175.30 176.87 2pot h LYS 190 N 9.32 0.00 -0.13 3.54 6.56 -1.78 0.19 116.57 134.27 2pot h LYS 190 Ca -0.07 0.00 -0.21 0.00 -1.06 0.00 0.00 60.65 59.31 2pot h LYS 190 Cb 1.05 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.71 2pot h LYS 190 CO 1.18 0.00 -0.77 1.05 -2.06 0.00 0.00 179.45 178.85 2pot h GLU 191 N 0.00 0.68 -0.02 3.15 9.09 -1.91 -2.03 114.58 123.54 2pot h GLU 191 Ca 0.00 -0.56 -0.01 0.00 0.05 0.00 0.00 59.36 58.85 2pot h GLU 191 Cb 0.61 0.12 -0.00 0.00 -1.65 0.00 0.00 28.75 27.82 2pot h GLU 191 CO 0.00 1.17 -0.01 0.37 0.05 0.00 0.00 179.01 180.59 2pot h GLN 192 N 0.46 0.04 -0.44 1.06 4.15 -1.65 -2.77 115.11 115.96 2pot h GLN 192 Ca -0.05 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.27 2pot h GLN 192 Cb 1.38 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.05 2pot h GLN 192 CO 0.15 0.47 -0.06 0.00 -1.93 0.00 0.00 178.83 177.46 2pot h ALA 193 N 0.57 1.06 0.00 3.38 0.00 -1.03 0.33 119.26 123.58 2pot h ALA 193 Ca 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2pot h ALA 193 Cb 0.46 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2pot h ALA 193 CO 0.00 0.58 -0.29 0.93 0.00 0.00 0.00 179.25 180.48 2pot h GLU 194 N 0.70 0.00 0.00 0.00 5.08 -1.42 -3.36 114.58 115.58 2pot h GLU 194 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2pot h GLU 194 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2pot h GLU 194 CO 0.03 0.29 0.00 0.09 -1.00 0.00 0.00 179.01 178.42 2pot n ASN 195 N -3.38 0.39 -4.29 1.42 3.02 -0.96 -4.75 115.26 106.71 2pot n ASN 195 Ca 0.00 -0.69 -0.19 0.00 -0.03 0.00 0.00 54.58 53.68 2pot n ASN 195 Cb 0.50 0.55 -0.10 0.00 -0.61 0.00 0.00 39.78 40.11 2pot n ASN 195 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pot s ALA 196 N -0.55 2.02 0.15 5.41 0.00 0.11 -4.80 121.76 124.11 2pot s ALA 196 Ca 0.00 -1.85 0.10 0.00 0.00 0.00 0.00 51.96 50.21 2pot s ALA 196 Cb 0.00 0.94 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 2pot s ALA 196 CO 0.00 -0.42 -0.18 0.00 0.00 0.00 0.00 175.76 175.16 2pot s ALA 197 N -3.57 2.68 -0.14 0.00 0.00 0.72 -4.66 121.76 116.78 2pot s ALA 197 Ca 0.36 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 50.89 2pot s ALA 197 Cb 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.62 2pot s ALA 197 CO 0.15 0.53 -0.20 -1.17 0.00 0.00 0.00 175.76 175.07 2pot s LEU 198 N -2.38 2.23 -0.08 0.00 2.96 -1.26 -0.08 118.68 120.06 2pot s LEU 198 Ca 0.20 -0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 53.54 2pot s LEU 198 Cb -0.10 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 2pot s LEU 198 CO 0.11 0.09 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.84 2pot s PHE 199 N 0.75 3.08 0.27 5.38 0.40 0.37 -1.53 117.98 126.70 2pot s PHE 199 Ca -0.08 0.13 -0.01 0.00 -0.60 0.00 0.00 56.93 56.37 2pot s PHE 199 Cb -0.16 -1.76 -0.04 0.00 0.51 0.00 0.00 43.02 41.57 2pot s PHE 199 CO 0.00 0.42 0.48 0.20 0.70 0.00 0.00 175.22 177.02 2pot s GLY 200 N -0.86 1.62 -0.15 4.36 0.00 -0.98 -1.00 107.32 110.32 2pot s GLY 200 Ca 0.13 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.04 2pot s GLY 200 CO 0.02 -0.75 -0.14 -0.42 0.00 0.00 0.00 173.10 171.80 2pot s ILE 201 N -2.08 1.58 0.01 0.90 1.01 -1.26 -0.61 121.20 120.74 2pot s ILE 201 Ca 0.40 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 60.11 2pot s ILE 201 Cb -0.10 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 2pot s ILE 201 CO 0.32 0.46 1.06 -1.58 0.00 0.00 0.00 174.94 175.20 2pot s GLN 202 N 1.44 4.50 0.18 2.79 0.74 0.97 -4.85 119.66 125.43 2pot s GLN 202 Ca 0.04 1.54 0.00 0.00 0.05 0.00 0.00 55.36 57.00 2pot s GLN 202 Cb -0.13 -3.43 0.00 0.00 1.10 0.00 0.00 33.01 30.55 2pot s GLN 202 CO -0.10 -0.15 0.02 1.04 -0.55 0.00 0.00 175.29 175.55 2pot n GLN 203 N 4.05 1.51 0.00 1.67 1.13 -1.26 0.09 117.38 124.57 2pot n GLN 203 Ca 0.07 -1.29 0.00 0.00 -1.94 0.00 0.00 57.00 53.84 2pot n GLN 203 Cb 0.49 0.31 0.00 0.00 0.11 0.00 0.00 30.24 31.15 2pot n GLN 203 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pot n GLY 204 N 2.83 0.33 7.00 1.08 0.00 -1.26 -3.93 105.19 111.23 2pot n GLY 204 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2pot n GLY 204 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2pot n SER 205 N 0.00 0.00 -1.58 1.61 2.88 -1.26 -1.49 113.62 113.78 2pot n SER 205 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 2pot n SER 205 Cb 0.00 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 63.78 2pot n SER 205 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2pot n VAL 206 N 0.00 2.67 -3.24 2.46 0.24 -1.26 -4.93 118.33 114.27 2pot n VAL 206 Ca 0.00 -1.72 -0.41 0.00 -2.04 0.00 0.00 64.34 60.18 2pot n VAL 206 Cb 0.00 -0.30 -0.08 0.00 -1.47 0.00 0.00 33.84 31.99 2pot n VAL 206 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2pot s PHE 207 N -2.89 3.20 0.44 6.34 0.08 -0.56 -4.93 117.98 119.66 2pot s PHE 207 Ca 0.51 0.31 0.15 0.00 0.12 0.00 0.00 56.93 58.01 2pot s PHE 207 Cb 0.40 -2.87 1.06 0.00 -0.57 0.00 0.00 43.02 41.04 2pot s PHE 207 CO 0.12 -0.47 1.97 1.49 -0.10 0.00 0.00 175.22 178.23 2pot h GLU 208 N 8.34 0.37 0.12 0.44 4.81 -1.92 0.47 114.58 127.22 2pot h GLU 208 Ca -0.28 -0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 58.64 2pot h GLU 208 Cb 1.13 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.43 2pot h GLU 208 CO 0.76 0.24 -1.32 -2.95 -0.73 0.00 0.00 179.01 175.01 2pot h ASN 209 N 0.38 0.41 0.24 1.04 -1.07 -1.93 -2.18 115.58 112.47 2pot h ASN 209 Ca 0.29 -0.47 -0.12 0.00 0.07 0.00 0.00 56.30 56.07 2pot h ASN 209 Cb 0.64 -0.13 -0.01 0.00 -2.07 0.00 0.00 38.32 36.75 2pot h ASN 209 CO -0.08 1.38 -0.46 -0.07 0.07 0.00 0.00 177.43 178.27 2pot h LEU 210 N 0.07 0.28 -0.26 6.14 3.38 -1.62 -1.98 115.31 121.32 2pot h LEU 210 Ca -0.16 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 2pot h LEU 210 Cb 1.99 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 2pot h LEU 210 CO 0.19 0.70 0.05 0.03 0.09 0.00 0.00 178.44 179.51 2pot h ARG 211 N 0.22 0.43 -0.56 1.13 2.47 -0.90 -1.97 114.38 115.19 2pot h ARG 211 Ca 0.01 -0.11 0.04 0.00 -1.26 0.00 0.00 59.98 58.66 2pot h ARG 211 Cb 0.89 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 29.12 2pot h ARG 211 CO 0.07 0.54 0.31 0.37 0.56 0.00 0.00 179.97 181.83 2pot h GLN 212 N 0.24 0.59 0.00 0.04 5.75 -1.31 -0.12 115.11 120.30 2pot h GLN 212 Ca 0.08 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.47 2pot h GLN 212 Cb 0.32 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 2pot h GLN 212 CO 0.00 0.39 -0.34 0.37 -2.65 0.00 0.00 178.83 176.60 2pot h GLN 213 N 0.61 0.00 -0.02 1.69 4.15 -1.28 -1.80 115.11 118.46 2pot h GLN 213 Ca 0.24 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.47 2pot h GLN 213 Cb 0.10 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 2pot h GLN 213 CO -0.14 0.34 -0.82 1.03 -1.93 0.00 0.00 178.83 177.31 2pot h SER 214 N 0.00 0.33 -0.11 -0.69 0.87 -0.47 -2.42 113.55 111.06 2pot h SER 214 Ca -0.00 -0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2pot h SER 214 Cb 0.66 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 2pot h SER 214 CO 0.04 1.02 0.07 0.00 -0.53 0.00 0.00 176.83 177.43 2pot h ALA 215 N 0.97 0.14 -0.39 6.23 0.00 -0.32 -0.76 119.26 125.12 2pot h ALA 215 Ca -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2pot h ALA 215 Cb 1.43 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2pot h ALA 215 CO 0.13 -0.35 0.24 -0.44 0.00 0.00 0.00 179.25 178.83 2pot h ASP 216 N 0.12 0.47 0.22 0.00 3.32 -1.39 0.00 116.42 119.16 2pot h ASP 216 Ca 0.04 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2pot h ASP 216 Cb 0.02 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2pot h ASP 216 CO -0.01 0.39 -0.14 0.00 -1.72 0.00 0.00 179.24 177.76 2pot h ALA 217 N 1.10 -0.34 -0.39 3.45 0.00 -1.27 0.09 119.26 121.90 2pot h ALA 217 Ca 0.14 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2pot h ALA 217 Cb 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2pot h ALA 217 CO -0.03 -0.70 0.17 -0.07 0.00 0.00 0.00 179.25 178.62 2pot h LEU 218 N -0.36 0.23 -1.43 0.00 3.38 -1.07 -0.17 115.31 115.88 2pot h LEU 218 Ca -0.02 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2pot h LEU 218 Cb 0.31 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2pot h LEU 218 CO 0.01 0.17 -0.08 0.00 0.09 0.00 0.00 178.44 178.64 2pot h ALA 219 N 1.22 1.03 -0.11 1.53 0.00 -0.73 0.13 119.26 122.34 2pot h ALA 219 Ca 0.17 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 2pot h ALA 219 Cb 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2pot h ALA 219 CO -0.14 0.10 -0.68 1.05 0.00 0.00 0.00 179.25 179.58 2pot h GLU 220 N 0.00 0.45 -0.02 0.00 9.09 -0.21 -3.18 114.58 120.70 2pot h GLU 220 Ca -0.00 -0.34 -0.04 0.00 0.05 0.00 0.00 59.36 59.03 2pot h GLU 220 Cb 0.56 0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.72 2pot h GLU 220 CO 0.01 0.97 -0.14 0.82 0.05 0.00 0.00 179.01 180.72 2pot h ILE 221 N 0.32 1.51 -0.20 -1.06 2.04 0.58 -3.50 117.51 117.20 2pot h ILE 221 Ca -0.02 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 64.14 2pot h ILE 221 Cb 1.24 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.89 2pot h ILE 221 CO 0.12 0.46 0.00 0.61 0.00 0.00 0.00 178.15 179.34 2pot n GLY 222 N 0.79 0.46 3.32 5.37 0.00 0.30 -5.12 105.19 110.32 2pot n GLY 222 Ca -0.09 -1.00 -0.17 0.00 0.00 0.00 0.00 46.02 44.76 2pot n GLY 222 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pot s PHE 223 N 0.00 1.55 0.01 1.61 0.08 -1.26 -5.03 117.98 114.94 2pot s PHE 223 Ca 0.00 -0.82 0.19 0.00 0.12 0.00 0.00 56.93 56.41 2pot s PHE 223 Cb 0.00 -0.85 0.47 0.00 -0.57 0.00 0.00 43.02 42.06 2pot s PHE 223 CO 0.00 0.07 1.63 -0.44 -0.10 0.00 0.00 175.22 176.38 2pot h ASP 224 N 2.53 0.00 -5.05 1.36 3.32 -1.68 -3.47 116.42 113.43 2pot h ASP 224 Ca -0.38 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.67 2pot h ASP 224 Cb 1.22 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.67 2pot h ASP 224 CO 0.64 0.39 0.11 -0.83 -1.72 0.00 0.00 179.24 177.83 2pot s GLY 225 N -4.38 -0.18 -0.08 2.75 0.00 -1.25 -4.33 107.32 99.85 2pot s GLY 225 Ca 0.02 -0.12 0.01 0.00 0.00 0.00 0.00 44.72 44.63 2pot s GLY 225 CO 0.70 -0.15 -0.08 -0.19 0.00 0.00 0.00 173.10 173.38 2pot s TYR 226 N -3.86 1.29 0.08 1.90 1.51 -0.24 -2.32 117.35 115.70 2pot s TYR 226 Ca 0.08 -0.53 0.01 0.00 -1.01 0.00 0.00 57.07 55.62 2pot s TYR 226 Cb -0.02 -1.04 -0.04 0.00 -0.11 0.00 0.00 41.96 40.74 2pot s TYR 226 CO -0.02 -0.36 0.19 0.00 -1.11 0.00 0.00 175.55 174.25 2pot s ALA 227 N 1.20 3.88 -0.45 3.71 0.00 0.22 -0.77 121.76 129.55 2pot s ALA 227 Ca -0.05 -0.93 -0.12 0.00 0.00 0.00 0.00 51.96 50.86 2pot s ALA 227 Cb -0.14 -1.71 0.09 0.00 0.00 0.00 0.00 23.12 21.35 2pot s ALA 227 CO -0.02 0.75 0.34 0.08 0.00 0.00 0.00 175.76 176.91 2pot s VAL 228 N -1.53 4.66 0.55 0.00 1.01 0.18 -0.02 120.40 125.24 2pot s VAL 228 Ca 0.33 -1.33 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 2pot s VAL 228 Cb -0.12 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.41 2pot s VAL 228 CO 0.27 -0.59 0.81 -0.83 0.00 0.00 0.00 175.10 174.75 2pot s GLY 229 N 2.47 1.66 0.00 4.51 0.00 0.11 -2.98 107.32 113.09 2pot s GLY 229 Ca 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.76 2pot s GLY 229 CO 0.03 -0.74 0.00 0.61 0.00 0.00 0.00 173.10 173.01 2pot n GLY 230 N -2.40 0.50 1.04 0.20 0.00 -1.26 -4.62 105.19 98.65 2pot n GLY 230 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.15 2pot n GLY 230 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pot n LEU 231 N 0.00 3.63 -2.45 0.99 4.32 -1.26 -4.52 117.00 117.72 2pot n LEU 231 Ca 0.00 -2.15 -0.34 0.00 -0.02 0.00 0.00 56.01 53.50 2pot n LEU 231 Cb 0.08 -0.40 0.05 0.00 -1.62 0.00 0.00 43.42 41.54 2pot n LEU 231 CO 0.00 0.83 1.19 0.00 -1.22 0.00 0.00 177.39 178.19 2pot n ALA 232 N 0.91 6.10 -3.48 -1.18 0.00 -1.26 -4.86 120.51 116.74 2pot n ALA 232 Ca 0.19 -3.76 0.01 0.00 0.00 0.00 0.00 53.44 49.88 2pot n ALA 232 Cb 0.60 -1.52 -0.04 0.00 0.00 0.00 0.00 19.45 18.49 2pot n ALA 232 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pot s VAL 233 N -4.91 -0.66 0.00 0.00 1.01 -1.26 -5.05 120.40 109.53 2pot s VAL 233 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2pot s VAL 233 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.85 2pot s VAL 233 CO -0.12 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.59 2pot n GLY 234 N 5.13 1.96 1.62 4.51 0.00 -1.26 -4.83 105.19 112.32 2pot n GLY 234 Ca -0.10 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 2pot n GLY 234 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pot n GLN 235 N 0.00 0.00 -0.25 1.61 3.00 -1.26 -4.93 117.38 115.55 2pot n GLN 235 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 2pot n GLN 235 Cb 0.00 -0.71 0.30 0.00 0.00 0.00 0.00 30.24 29.83 2pot n GLN 235 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2pot s GLY 236 N 2.28 1.38 0.11 1.08 0.00 -1.26 -4.65 107.32 106.26 2pot s GLY 236 Ca 0.54 -0.81 -0.18 0.00 0.00 0.00 0.00 44.72 44.27 2pot s GLY 236 CO 0.34 0.23 1.63 -1.61 0.00 0.00 0.00 173.10 173.69 2pot h GLN 237 N -3.60 0.48 -0.63 2.90 4.15 -1.99 -2.05 115.11 114.37 2pot h GLN 237 Ca -0.42 -0.10 0.09 0.00 0.77 0.00 0.00 58.65 58.98 2pot h GLN 237 Cb 1.35 -0.07 -0.07 0.00 0.21 0.00 0.00 27.48 28.90 2pot h GLN 237 CO 0.27 0.52 0.28 -0.44 -1.93 0.00 0.00 178.83 177.53 2pot h ASP 238 N 0.34 0.33 -0.21 -0.69 3.45 -1.99 0.10 116.42 117.76 2pot h ASP 238 Ca 0.10 0.06 -0.03 0.00 0.43 0.00 0.00 57.03 57.59 2pot h ASP 238 Cb 0.24 0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 2pot h ASP 238 CO -0.00 0.20 -0.01 -0.08 -1.57 0.00 0.00 179.24 177.78 2pot h GLU 239 N 0.49 0.37 -0.22 3.56 4.57 -1.85 -0.95 114.58 120.55 2pot h GLU 239 Ca 0.31 -0.12 0.06 0.00 -1.18 0.00 0.00 59.36 58.42 2pot h GLU 239 Cb 0.33 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.82 2pot h GLU 239 CO -0.27 0.57 -0.24 1.98 -1.18 0.00 0.00 179.01 179.88 2pot h MET 240 N 0.13 -0.24 -0.95 1.92 4.05 -0.94 -0.94 114.93 117.96 2pot h MET 240 Ca 0.06 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.50 2pot h MET 240 Cb 0.41 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.22 2pot h MET 240 CO 0.01 -0.16 0.62 0.74 0.23 0.00 0.00 176.91 178.35 2pot h PHE 241 N -0.25 1.20 -0.60 1.39 0.04 -0.65 -0.34 116.94 117.73 2pot h PHE 241 Ca 0.13 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.85 2pot h PHE 241 Cb 0.45 -0.41 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 2pot h PHE 241 CO -0.38 0.76 0.06 0.00 -0.60 0.00 0.00 178.31 178.16 2pot h ARG 242 N 1.29 0.99 -0.50 1.51 -0.00 -0.59 0.27 114.38 117.35 2pot h ARG 242 Ca 0.35 -0.27 -0.05 0.00 -0.50 0.00 0.00 59.98 59.51 2pot h ARG 242 Cb -0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 29.97 29.70 2pot h ARG 242 CO -0.07 0.93 0.11 0.28 0.00 0.00 0.00 179.97 181.22 2pot h VAL 243 N 0.92 1.22 -0.20 2.04 2.07 -0.74 -2.82 116.25 118.74 2pot h VAL 243 Ca 0.18 -0.80 -0.14 0.00 0.82 0.00 0.00 66.70 66.76 2pot h VAL 243 Cb 0.45 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2pot h VAL 243 CO 0.02 0.30 -0.46 -0.07 0.02 0.00 0.00 177.57 177.37 2pot h LEU 244 N 0.74 0.57 -1.01 2.57 3.38 -0.07 -0.50 115.31 120.99 2pot h LEU 244 Ca 0.16 -0.27 0.19 0.00 0.09 0.00 0.00 57.88 58.05 2pot h LEU 244 Cb 0.30 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 40.78 2pot h LEU 244 CO 0.00 0.95 0.61 0.44 0.09 0.00 0.00 178.44 180.53 2pot h ASP 245 N 0.42 0.80 0.00 -0.43 3.32 -0.72 -2.41 116.42 117.40 2pot h ASP 245 Ca 0.03 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 2pot h ASP 245 Cb 0.97 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.47 2pot h ASP 245 CO 0.09 0.29 -1.99 2.22 -1.72 0.00 0.00 179.24 178.13 2pot n PHE 246 N -4.76 0.00 -0.03 4.55 1.16 -1.18 -4.60 117.46 112.59 2pot n PHE 246 Ca 0.23 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.68 2pot n PHE 246 Cb 0.56 -0.51 -0.11 0.00 -1.61 0.00 0.00 39.48 37.81 2pot n PHE 246 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 2pot h SER 247 N 0.00 0.05 -0.76 5.98 0.02 -0.60 -3.34 113.55 114.91 2pot h SER 247 Ca -0.03 -0.68 -0.05 0.00 -0.84 0.00 0.00 61.79 60.19 2pot h SER 247 Cb 1.04 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.54 2pot h SER 247 CO 0.00 0.72 0.28 0.58 -1.14 0.00 0.00 176.83 177.27 2pot h VAL 248 N -0.62 1.26 0.00 2.27 2.07 -1.74 0.26 116.25 119.75 2pot h VAL 248 Ca -0.00 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.68 2pot h VAL 248 Cb 0.71 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2pot h VAL 248 CO 0.01 0.34 0.00 -0.65 0.02 0.00 0.00 177.57 177.28 2pot h PRO 249 N 1.10 0.00 0.00 1.57 0.11 -1.80 -1.58 132.00 131.39 2pot h PRO 249 Ca 0.25 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.31 2pot h PRO 249 Cb 0.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 2pot h PRO 249 CO -0.02 0.00 -0.25 0.52 -0.21 0.00 0.00 178.00 178.04 2pot h MET 250 N 0.00 0.00 -7.01 1.05 2.86 -1.06 -3.45 114.93 107.32 2pot h MET 250 Ca 0.00 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.19 2pot h MET 250 Cb 0.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 2pot h MET 250 CO 0.00 0.25 0.35 -0.51 1.06 0.00 0.00 176.91 178.06 2pot s LEU 251 N -6.72 4.04 -0.18 1.22 1.43 -0.60 -4.81 118.68 113.07 2pot s LEU 251 Ca 0.01 1.78 -0.38 0.00 -1.03 0.00 0.00 54.13 54.52 2pot s LEU 251 Cb 0.10 -4.38 -0.15 0.00 0.03 0.00 0.00 46.19 41.79 2pot s LEU 251 CO 0.65 -0.35 1.74 -2.65 0.23 0.00 0.00 176.35 175.97 2pot n PRO 252 N -0.34 1.45 -0.26 1.29 -0.02 -1.26 -4.83 135.00 131.04 2pot n PRO 252 Ca 0.06 0.53 0.10 0.00 -2.02 0.00 0.00 63.50 62.17 2pot n PRO 252 Cb 0.52 -2.26 0.35 0.00 -0.02 0.00 0.00 33.50 32.10 2pot n PRO 252 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2pot h ASP 253 N 7.44 0.70 -0.22 2.55 -0.00 -1.91 -2.75 116.42 122.22 2pot h ASP 253 Ca -0.47 0.03 0.00 0.00 -0.00 0.00 0.00 57.03 56.59 2pot h ASP 253 Cb 1.31 -0.11 0.00 0.00 -0.00 0.00 0.00 39.33 40.52 2pot h ASP 253 CO 0.94 0.39 0.00 -0.90 -0.00 0.00 0.00 179.24 179.67 2pot n ASP 254 N -4.53 1.27 -4.44 2.28 3.85 -1.26 -4.81 116.55 108.90 2pot n ASP 254 Ca 0.15 -1.94 -0.25 0.00 -0.71 0.00 0.00 54.79 52.04 2pot n ASP 254 Cb 0.38 -0.15 -0.11 0.00 -1.35 0.00 0.00 41.12 39.89 2pot n ASP 254 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 2pot s LYS 255 N -1.71 1.59 0.56 0.11 -0.14 -1.04 -4.98 119.74 114.13 2pot s LYS 255 Ca 0.19 -1.64 -0.21 0.00 -1.36 0.00 0.00 55.97 52.95 2pot s LYS 255 Cb 0.10 -1.79 -0.05 0.00 -1.68 0.00 0.00 37.83 34.41 2pot s LYS 255 CO 0.13 0.36 1.29 -2.30 -0.76 0.00 0.00 175.35 174.07 2pot n PRO 256 N -0.15 1.51 -3.96 -1.68 -0.02 -1.26 -4.84 135.00 124.60 2pot n PRO 256 Ca -0.09 0.56 -0.34 0.00 -2.02 0.00 0.00 63.50 61.61 2pot n PRO 256 Cb 0.58 -2.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.42 2pot n PRO 256 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2pot s HIS 257 N -1.32 3.03 -0.20 6.00 3.76 -1.26 -1.08 115.29 124.21 2pot s HIS 257 Ca 0.73 -1.48 -0.02 0.00 -0.15 0.00 0.00 55.06 54.15 2pot s HIS 257 Cb -0.42 -2.06 0.01 0.00 1.11 0.00 0.00 32.58 31.22 2pot s HIS 257 CO 0.48 -0.71 -0.11 -0.47 -0.85 0.00 0.00 174.74 173.08 2pot s TYR 258 N 1.34 2.88 -0.46 1.40 5.04 0.05 -0.21 117.35 127.40 2pot s TYR 258 Ca 0.01 -1.27 -0.21 0.00 -2.44 0.00 0.00 57.07 53.17 2pot s TYR 258 Cb -0.16 -2.02 0.03 0.00 0.35 0.00 0.00 41.96 40.16 2pot s TYR 258 CO -0.05 -0.67 0.68 -1.17 -1.34 0.00 0.00 175.55 173.00 2pot s LEU 259 N 1.39 4.51 0.08 6.97 2.96 -0.73 0.48 118.68 134.34 2pot s LEU 259 Ca 0.05 -0.39 -0.30 0.00 -0.22 0.00 0.00 54.13 53.27 2pot s LEU 259 Cb -0.14 -2.72 -0.06 0.00 0.50 0.00 0.00 46.19 43.77 2pot s LEU 259 CO -0.08 -0.84 1.12 -0.04 -1.32 0.00 0.00 176.35 175.19 2pot s MET 260 N 2.92 4.51 -0.86 1.98 -1.94 -1.16 -3.91 119.30 120.85 2pot s MET 260 Ca 0.23 1.67 0.00 0.00 -1.71 0.00 0.00 55.69 55.88 2pot s MET 260 Cb -0.14 -3.35 0.00 0.00 2.01 0.00 0.00 34.83 33.34 2pot s MET 260 CO 0.18 -0.10 0.00 0.41 -0.01 0.00 0.00 175.02 175.50 2pot n GLY 261 N 2.79 0.96 3.24 -0.03 0.00 -1.13 -4.43 105.19 106.58 2pot n GLY 261 Ca 0.06 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 2pot n GLY 261 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pot s VAL 262 N -2.31 1.96 -1.28 1.61 1.01 -0.55 -4.81 120.40 116.03 2pot s VAL 262 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.97 2pot s VAL 262 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.71 2pot s VAL 262 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2pot n GLY 263 N 3.03 -0.75 3.77 4.51 0.00 -1.26 -3.54 105.19 110.96 2pot n GLY 263 Ca -0.18 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 2pot n GLY 263 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pot s LYS 264 N -0.59 2.66 0.26 1.61 -2.85 -1.26 -4.78 119.74 114.79 2pot s LYS 264 Ca 0.00 1.31 -0.02 0.00 -1.00 0.00 0.00 55.97 56.26 2pot s LYS 264 Cb 0.00 -1.94 0.52 0.00 -2.06 0.00 0.00 37.83 34.35 2pot s LYS 264 CO 0.00 -1.35 1.74 -1.35 0.10 0.00 0.00 175.35 174.49 2pot h PRO 265 N -0.32 0.51 0.00 1.78 0.11 -2.00 -0.52 132.00 131.56 2pot h PRO 265 Ca -0.46 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 2pot h PRO 265 Cb 1.24 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2pot h PRO 265 CO 0.53 0.34 -0.44 0.38 -0.21 0.00 0.00 178.00 178.60 2pot h ASP 266 N 0.52 0.00 -0.38 -2.05 2.03 -2.00 -2.02 116.42 112.52 2pot h ASP 266 Ca 0.45 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.72 2pot h ASP 266 Cb 0.68 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.17 2pot h ASP 266 CO -0.40 0.44 0.13 0.44 -1.03 0.00 0.00 179.24 178.82 2pot h ASP 267 N 0.00 0.54 -0.26 4.15 3.45 -1.50 -2.46 116.42 120.34 2pot h ASP 267 Ca -0.00 -0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.26 2pot h ASP 267 Cb 0.94 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.55 2pot h ASP 267 CO 0.06 0.59 0.17 0.40 -1.57 0.00 0.00 179.24 178.89 2pot h ILE 268 N 0.47 1.07 -0.28 0.35 2.04 -0.92 0.30 117.51 120.55 2pot h ILE 268 Ca 0.12 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.85 2pot h ILE 268 Cb 0.23 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2pot h ILE 268 CO -0.01 0.07 0.15 0.58 0.00 0.00 0.00 178.15 178.94 2pot h VAL 269 N 0.35 1.00 -0.90 1.67 2.07 -1.33 0.25 116.25 119.36 2pot h VAL 269 Ca 0.09 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2pot h VAL 269 Cb -0.03 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 2pot h VAL 269 CO -0.02 0.06 0.53 1.23 0.02 0.00 0.00 177.57 179.39 2pot h GLY 270 N 0.30 1.31 1.62 2.17 0.00 -1.34 -1.84 103.07 105.29 2pot h GLY 270 Ca 0.11 -0.55 -0.17 0.00 0.00 0.00 0.00 47.33 46.72 2pot h GLY 270 CO -0.07 0.54 -0.64 0.00 0.00 0.00 0.00 176.54 176.36 2pot h ALA 271 N 1.34 0.71 -0.70 3.60 0.00 -0.36 -2.87 119.26 120.98 2pot h ALA 271 Ca 0.32 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 2pot h ALA 271 Cb -0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2pot h ALA 271 CO -0.06 0.73 0.17 0.28 0.00 0.00 0.00 179.25 180.37 2pot h VAL 272 N 0.28 1.26 -0.13 0.00 2.07 -0.62 -0.87 116.25 118.25 2pot h VAL 272 Ca -0.01 -0.98 0.04 0.00 0.82 0.00 0.00 66.70 66.57 2pot h VAL 272 Cb 1.18 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2pot h VAL 272 CO 0.11 0.37 0.23 -0.33 0.02 0.00 0.00 177.57 177.97 2pot h GLU 273 N 1.06 0.00 -0.36 1.57 5.08 -1.16 0.73 114.58 121.50 2pot h GLU 273 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2pot h GLU 273 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2pot h GLU 273 CO 0.00 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.55 2pot n ARG 274 N -3.42 3.45 -0.42 2.33 1.74 -0.40 -4.18 116.66 115.75 2pot n ARG 274 Ca 0.00 -2.89 0.00 0.00 -0.77 0.00 0.00 57.85 54.20 2pot n ARG 274 Cb 0.33 -1.92 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 2pot n ARG 274 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pot n GLY 275 N -0.11 0.83 3.81 -0.13 0.00 0.25 -4.78 105.19 105.07 2pot n GLY 275 Ca 0.23 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 2pot n GLY 275 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pot s ILE 276 N -2.00 4.76 -0.02 -0.61 -1.09 -0.78 -4.70 121.20 116.77 2pot s ILE 276 Ca 0.00 1.22 0.11 0.00 -2.23 0.00 0.00 60.65 59.75 2pot s ILE 276 Cb 0.00 -3.90 -0.17 0.00 -1.58 0.00 0.00 42.46 36.81 2pot s ILE 276 CO 0.00 0.54 0.24 0.47 -1.23 0.00 0.00 174.94 174.96 2pot n ASP 277 N 1.83 2.46 -3.94 3.58 8.00 0.70 -4.46 116.55 124.73 2pot n ASP 277 Ca -0.10 -0.01 -0.10 0.00 0.71 0.00 0.00 54.79 55.29 2pot n ASP 277 Cb 0.51 1.50 -0.12 0.00 -0.02 0.00 0.00 41.12 42.99 2pot n ASP 277 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2pot s MET 278 N -2.76 0.23 0.02 -1.24 -1.94 -0.55 -1.10 119.30 111.95 2pot s MET 278 Ca -0.04 -0.40 -0.02 0.00 -1.71 0.00 0.00 55.69 53.53 2pot s MET 278 Cb 0.07 0.08 -0.02 0.00 2.01 0.00 0.00 34.83 36.98 2pot s MET 278 CO 0.46 -0.04 0.01 -0.06 -0.01 0.00 0.00 175.02 175.38 2pot s PHE 279 N -0.98 0.21 0.05 -0.03 0.40 0.41 -1.78 117.98 116.26 2pot s PHE 279 Ca -0.11 -0.44 0.00 0.00 -0.60 0.00 0.00 56.93 55.78 2pot s PHE 279 Cb -0.07 -0.16 -0.03 0.00 0.51 0.00 0.00 43.02 43.27 2pot s PHE 279 CO -0.01 -0.22 -0.04 0.16 0.70 0.00 0.00 175.22 175.82 2pot s ASP 280 N -1.46 0.61 -0.26 1.36 -4.77 -1.23 -0.55 116.67 110.36 2pot s ASP 280 Ca -0.15 -0.84 -0.29 0.00 -3.30 0.00 0.00 52.55 47.97 2pot s ASP 280 Cb -0.09 0.14 0.18 0.00 -1.09 0.00 0.00 42.92 42.05 2pot s ASP 280 CO -0.00 -0.46 1.29 0.00 0.70 0.00 0.00 175.17 176.69 2pot n VAL 282 N 0.77 0.00 -0.02 0.00 0.24 -1.26 -4.29 118.33 113.77 2pot n VAL 282 Ca -0.04 -0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.13 2pot n VAL 282 Cb 0.58 -0.16 -0.07 0.00 -1.47 0.00 0.00 33.84 32.72 2pot n VAL 282 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2pot h LEU 283 N 0.03 -1.50 -1.36 1.34 5.85 -1.95 0.82 115.31 118.55 2pot h LEU 283 Ca 0.00 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2pot h LEU 283 Cb 0.49 0.60 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 2pot h LEU 283 CO 0.00 -0.45 0.30 1.55 -0.34 0.00 0.00 178.44 179.50 2pot h PRO 284 N -0.51 0.73 0.05 5.25 0.13 -1.91 0.25 132.00 135.98 2pot h PRO 284 Ca 0.07 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2pot h PRO 284 Cb 0.65 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.63 2pot h PRO 284 CO -0.44 0.54 -0.02 1.79 -0.23 0.00 0.00 178.00 179.64 2pot h THR 285 N 0.74 0.00 -0.39 1.56 1.35 -1.74 -2.66 112.91 111.78 2pot h THR 285 Ca 0.19 -0.38 0.08 0.00 -0.55 0.00 0.00 66.41 65.75 2pot h THR 285 Cb 0.01 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 66.34 2pot h THR 285 CO -0.03 0.00 -0.33 0.03 -0.25 0.00 0.00 175.52 174.94 2pot h ARG 286 N -0.44 -0.25 0.00 4.72 -0.00 -0.89 0.16 114.38 117.68 2pot h ARG 286 Ca -0.01 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 2pot h ARG 286 Cb 0.05 0.06 0.00 0.00 0.00 0.00 0.00 29.97 30.07 2pot h ARG 286 CO 0.01 -0.16 0.00 0.66 0.00 0.00 0.00 179.97 180.48 2pot h SER 287 N -0.26 0.00 0.20 7.04 4.64 -1.09 -2.15 113.55 121.93 2pot h SER 287 Ca 0.17 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 2pot h SER 287 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2pot h SER 287 CO -0.54 0.00 -0.09 1.23 -0.87 0.00 0.00 176.83 176.56 2pot h GLY 288 N 2.44 -0.28 1.93 -0.77 0.00 -0.61 0.33 103.07 106.11 2pot h GLY 288 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.44 2pot h GLY 288 CO 0.00 -0.10 0.03 3.21 0.00 0.00 0.00 176.54 179.68 2pot h ARG 289 N -0.42 0.00 -0.00 4.80 3.08 -0.73 0.12 114.38 121.23 2pot h ARG 289 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2pot h ARG 289 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2pot h ARG 289 CO 0.04 0.00 -0.02 0.09 -1.07 0.00 0.00 179.97 179.01 2pot n ASN 290 N -4.22 0.15 0.00 7.04 4.13 -0.96 -4.89 115.26 116.50 2pot n ASN 290 Ca -0.02 -0.53 0.00 0.00 1.68 0.00 0.00 54.58 55.71 2pot n ASN 290 Cb 0.12 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.21 2pot n ASN 290 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2pot n GLY 291 N 1.20 0.66 3.70 7.41 0.00 0.43 -4.94 105.19 113.65 2pot n GLY 291 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2pot n GLY 291 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pot s GLN 292 N -0.93 4.30 -0.05 1.61 0.74 0.11 -1.06 119.66 124.38 2pot s GLN 292 Ca 0.00 0.56 0.05 0.00 0.05 0.00 0.00 55.36 56.02 2pot s GLN 292 Cb 0.00 -3.49 -0.02 0.00 1.10 0.00 0.00 33.01 30.60 2pot s GLN 292 CO 0.00 -0.00 -0.18 0.00 -0.55 0.00 0.00 175.29 174.55 2pot s ALA 293 N 1.12 2.48 -0.02 1.58 0.00 -0.25 -3.55 121.76 123.12 2pot s ALA 293 Ca 0.28 -1.02 -0.18 0.00 0.00 0.00 0.00 51.96 51.05 2pot s ALA 293 Cb -0.16 -0.85 -0.05 0.00 0.00 0.00 0.00 23.12 22.06 2pot s ALA 293 CO 0.12 0.51 0.49 -0.06 0.00 0.00 0.00 175.76 176.82 2pot s PHE 294 N -0.57 3.67 0.21 0.00 0.08 -1.26 -0.75 117.98 119.36 2pot s PHE 294 Ca 0.08 1.05 0.01 0.00 0.12 0.00 0.00 56.93 58.19 2pot s PHE 294 Cb -0.11 -2.47 -0.05 0.00 -0.57 0.00 0.00 43.02 39.82 2pot s PHE 294 CO 0.01 0.43 0.08 0.95 -0.10 0.00 0.00 175.22 176.58 2pot s THR 295 N -0.37 0.42 0.22 0.64 -4.23 -1.00 -4.91 115.64 106.40 2pot s THR 295 Ca 0.27 -1.99 0.27 0.00 -1.18 0.00 0.00 61.69 59.06 2pot s THR 295 Cb -0.17 -2.43 0.28 0.00 1.34 0.00 0.00 72.50 71.52 2pot s THR 295 CO 0.14 -0.15 1.93 -0.50 -0.54 0.00 0.00 174.62 175.50 2pot h TRP 296 N 2.55 0.00 -0.53 3.99 4.06 -1.97 -1.54 115.95 122.51 2pot h TRP 296 Ca -0.37 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.58 2pot h TRP 296 Cb 1.23 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.39 2pot h TRP 296 CO 0.45 0.16 0.00 -0.25 -3.56 0.00 0.00 178.44 175.24 2pot n ASP 297 N -3.40 5.02 0.00 -3.49 8.00 -1.26 -2.34 116.55 119.08 2pot n ASP 297 Ca -0.00 -2.72 0.00 0.00 0.71 0.00 0.00 54.79 52.77 2pot n ASP 297 Cb 0.35 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 2pot n ASP 297 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pot n GLY 298 N 0.69 1.13 3.79 0.44 0.00 -0.58 -4.74 105.19 105.92 2pot n GLY 298 Ca 0.24 -2.05 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 2pot n GLY 298 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pot s PRO 299 N -1.69 3.49 0.05 1.61 0.04 -1.26 -2.39 135.00 134.85 2pot s PRO 299 Ca 0.00 1.36 0.03 0.00 0.04 0.00 0.00 61.00 62.43 2pot s PRO 299 Cb 0.00 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2pot s PRO 299 CO 0.00 -0.69 -0.10 0.96 0.04 0.00 0.00 177.00 177.21 2pot s ILE 300 N -2.11 0.73 -0.38 0.56 -4.36 0.07 -4.93 121.20 110.78 2pot s ILE 300 Ca 0.67 -1.07 -0.12 0.00 -0.26 0.00 0.00 60.65 59.87 2pot s ILE 300 Cb -0.18 -0.75 0.03 0.00 1.25 0.00 0.00 42.46 42.81 2pot s ILE 300 CO 0.28 -0.27 0.23 0.21 0.24 0.00 0.00 174.94 175.62 2pot s ASN 301 N -1.48 5.82 0.51 4.36 3.84 -1.26 -1.09 114.94 125.63 2pot s ASN 301 Ca -0.06 -0.97 0.34 0.00 0.21 0.00 0.00 52.86 52.38 2pot s ASN 301 Cb -0.09 -2.05 1.79 0.00 -0.55 0.00 0.00 41.25 40.34 2pot s ASN 301 CO 0.01 -0.40 2.04 -0.29 -2.79 0.00 0.00 177.10 175.67 2pot h ILE 302 N 5.82 0.00 0.00 -5.21 6.09 -1.47 0.09 117.51 122.83 2pot h ILE 302 Ca -0.26 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 2pot h ILE 302 Cb 1.11 0.87 0.00 0.00 0.47 0.00 0.00 36.82 39.27 2pot h ILE 302 CO 0.68 0.00 0.00 0.03 -3.07 0.00 0.00 178.15 175.79 2pot h ARG 303 N 0.00 0.00 -6.85 2.19 3.08 -1.87 -3.40 114.38 107.53 2pot h ARG 303 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 2pot h ARG 303 Cb 0.08 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.22 2pot h ARG 303 CO 0.00 0.00 0.87 1.21 -1.07 0.00 0.00 179.97 180.98 2pot s ASN 304 N -5.24 6.34 0.65 7.04 3.84 0.02 -4.83 114.94 122.75 2pot s ASN 304 Ca 0.01 3.00 0.37 0.00 0.21 0.00 0.00 52.86 56.46 2pot s ASN 304 Cb 0.09 -2.65 2.06 0.00 -0.55 0.00 0.00 41.25 40.21 2pot s ASN 304 CO 0.48 -0.92 2.21 0.00 -2.79 0.00 0.00 177.10 176.08 2pot h ALA 305 N 4.31 1.27 0.00 1.71 0.00 -1.90 -0.27 119.26 124.39 2pot h ALA 305 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2pot h ALA 305 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2pot h ALA 305 CO 0.75 -0.13 0.00 0.07 0.00 0.00 0.00 179.25 179.94 2pot h ARG 306 N 0.00 0.00 -0.17 0.00 0.11 -1.94 -1.77 114.38 110.61 2pot h ARG 306 Ca 0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.09 2pot h ARG 306 Cb 0.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.32 2pot h ARG 306 CO -0.00 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.26 2pot n PHE 307 N -2.36 0.20 -0.12 4.08 3.72 -0.11 -4.50 117.46 118.37 2pot n PHE 307 Ca -0.01 -0.10 0.12 0.00 -0.05 0.00 0.00 57.45 57.41 2pot n PHE 307 Cb 0.06 0.00 0.48 0.00 -0.94 0.00 0.00 39.48 39.08 2pot n PHE 307 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2pot h SER 308 N 3.81 0.41 0.00 4.37 4.64 -1.48 -2.59 113.55 122.71 2pot h SER 308 Ca 0.00 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2pot h SER 308 Cb 0.82 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 2pot h SER 308 CO 0.00 0.24 -0.24 -0.62 -0.87 0.00 0.00 176.83 175.34 2pot n GLU 309 N -4.48 0.81 -2.53 4.77 1.02 -1.26 -4.70 120.64 114.28 2pot n GLU 309 Ca 0.11 -2.07 -0.43 0.00 -0.02 0.00 0.00 57.16 54.76 2pot n GLU 309 Cb 0.40 -1.11 -0.02 0.00 -0.02 0.00 0.00 31.44 30.69 2pot n GLU 309 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2pot s ASP 310 N -2.23 6.72 0.00 1.62 -1.08 -0.98 -4.90 116.67 115.82 2pot s ASP 310 Ca 0.22 0.94 0.26 0.00 -0.52 0.00 0.00 52.55 53.44 2pot s ASP 310 Cb 0.19 -2.54 0.74 0.00 -1.46 0.00 0.00 42.92 39.85 2pot s ASP 310 CO 0.01 -1.09 1.57 0.18 0.52 0.00 0.00 175.17 176.36 2pot n LEU 311 N 7.53 0.46 -4.76 -1.34 4.77 -1.26 -1.15 117.00 121.25 2pot n LEU 311 Ca 0.13 0.07 -0.35 0.00 -0.03 0.00 0.00 56.01 55.83 2pot n LEU 311 Cb 0.47 -0.28 0.03 0.00 -2.33 0.00 0.00 43.42 41.32 2pot n LEU 311 CO 0.65 0.11 0.80 -0.54 -1.33 0.00 0.00 177.39 177.07 2pot s LYS 312 N -2.89 2.98 1.00 3.23 1.02 -1.26 -4.54 119.74 119.27 2pot s LYS 312 Ca 0.15 1.67 -0.12 0.00 0.02 0.00 0.00 55.97 57.69 2pot s LYS 312 Cb 0.18 -1.95 0.19 0.00 -0.52 0.00 0.00 37.83 35.73 2pot s LYS 312 CO 0.63 -1.16 1.08 -1.25 -0.92 0.00 0.00 175.35 173.73 2pot s PRO 313 N -3.52 0.43 0.27 -1.68 0.04 -1.26 0.09 135.00 129.37 2pot s PRO 313 Ca 0.74 0.76 -0.01 0.00 0.04 0.00 0.00 61.00 62.53 2pot s PRO 313 Cb -0.26 -1.72 0.52 0.00 0.04 0.00 0.00 34.50 33.08 2pot s PRO 313 CO 0.34 -2.79 1.80 -0.07 0.04 0.00 0.00 177.00 176.32 2pot h LEU 314 N -1.94 0.70 -7.74 -3.56 3.38 -1.89 -3.40 115.31 100.86 2pot h LEU 314 Ca -0.54 0.07 -0.38 0.00 0.09 0.00 0.00 57.88 57.12 2pot h LEU 314 Cb 1.31 -0.06 -0.33 0.00 0.09 0.00 0.00 40.66 41.67 2pot h LEU 314 CO 0.54 0.34 -0.76 -0.62 0.09 0.00 0.00 178.44 178.03 2pot s ASP 315 N -5.54 0.77 0.65 -0.43 -1.08 -1.26 -4.94 116.67 104.83 2pot s ASP 315 Ca -0.12 -0.10 0.40 0.00 -0.52 0.00 0.00 52.55 52.21 2pot s ASP 315 Cb 0.22 -0.35 2.22 0.00 -1.46 0.00 0.00 42.92 43.54 2pot s ASP 315 CO 0.79 -0.05 2.30 0.77 0.52 0.00 0.00 175.17 179.50 2pot h SER 316 N 7.04 0.00 0.00 -0.34 4.64 -1.99 -3.02 113.55 119.88 2pot h SER 316 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2pot h SER 316 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2pot h SER 316 CO 0.48 0.00 -0.54 -0.62 -0.87 0.00 0.00 176.83 175.28 2pot n GLU 317 N -3.25 3.35 -1.67 4.77 1.02 -1.26 -5.03 120.64 118.56 2pot n GLU 317 Ca -0.03 -0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.67 2pot n GLU 317 Cb 0.11 -0.78 -0.02 0.00 -0.02 0.00 0.00 31.44 30.73 2pot n GLU 317 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pot n HIS 319 N 1.62 0.72 -2.01 0.00 8.25 -1.26 -4.80 115.22 117.74 2pot n HIS 319 Ca 0.10 -0.33 -0.32 0.00 -0.26 0.00 0.00 57.72 56.91 2pot n HIS 319 Cb 0.32 -0.05 0.01 0.00 1.12 0.00 0.00 29.99 31.39 2pot n HIS 319 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pot h ALA 321 N 0.32 1.28 -0.32 0.00 0.00 -1.95 -1.24 119.26 117.34 2pot h ALA 321 Ca -0.46 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2pot h ALA 321 Cb 1.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2pot h ALA 321 CO 0.58 -0.09 0.17 0.28 0.00 0.00 0.00 179.25 180.18 2pot h VAL 322 N 0.62 1.15 0.00 0.00 2.07 -1.92 -2.27 116.25 115.89 2pot h VAL 322 Ca 0.46 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.59 2pot h VAL 322 Cb 0.65 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2pot h VAL 322 CO -0.36 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.38 2pot h GLN 324 N 0.00 0.00 0.00 0.00 1.08 -0.70 -3.42 115.11 112.07 2pot h GLN 324 Ca 0.00 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.09 2pot h GLN 324 Cb 0.51 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.92 2pot h GLN 324 CO 0.00 0.22 -1.38 1.63 -0.95 0.00 0.00 178.83 178.35 2pot n LYS 325 N -3.04 0.16 -4.38 1.46 4.76 -0.92 -5.08 118.16 111.12 2pot n LYS 325 Ca 0.01 0.05 -0.27 0.00 -2.87 0.00 0.00 58.31 55.22 2pot n LYS 325 Cb 0.65 -0.94 -0.11 0.00 -1.84 0.00 0.00 35.03 32.78 2pot n LYS 325 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2pot s TRP 326 N -2.13 2.40 0.41 2.13 0.51 0.90 -5.10 118.94 118.05 2pot s TRP 326 Ca -0.09 -0.32 0.02 0.00 -2.12 0.00 0.00 56.10 53.59 2pot s TRP 326 Cb 0.03 -1.21 -0.01 0.00 -0.81 0.00 0.00 33.47 31.48 2pot s TRP 326 CO 0.14 0.47 0.60 -1.54 -0.51 0.00 0.00 176.95 176.11 2pot s SER 327 N -2.57 5.90 0.27 2.95 1.04 -1.26 -4.37 113.70 115.66 2pot s SER 327 Ca 0.20 0.15 -0.01 0.00 0.48 0.00 0.00 55.95 56.78 2pot s SER 327 Cb -0.09 -1.47 0.49 0.00 0.10 0.00 0.00 66.02 65.05 2pot s SER 327 CO 0.10 -0.60 1.84 0.03 0.98 0.00 0.00 173.24 175.60 2pot h ARG 328 N 0.57 0.99 -0.70 4.02 3.08 -0.30 -2.44 114.38 119.60 2pot h ARG 328 Ca -0.46 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.49 2pot h ARG 328 Cb 1.25 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 31.05 2pot h ARG 328 CO 0.56 0.65 0.29 0.00 -1.07 0.00 0.00 179.97 180.41 2pot h ALA 329 N 1.50 1.19 -0.26 0.04 0.00 -1.13 0.60 119.26 121.20 2pot h ALA 329 Ca 0.46 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 2pot h ALA 329 Cb 0.38 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2pot h ALA 329 CO -0.24 0.59 0.02 -0.92 0.00 0.00 0.00 179.25 178.70 2pot h TYR 330 N 1.01 0.49 -0.17 0.00 3.20 -1.79 -1.14 116.97 118.57 2pot h TYR 330 Ca 0.24 -0.08 -0.15 0.00 3.14 0.00 0.00 58.73 61.88 2pot h TYR 330 Cb 0.18 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 2pot h TYR 330 CO 0.02 0.59 -0.54 0.82 -1.64 0.00 0.00 178.16 177.41 2pot h ILE 331 N 0.24 1.33 -0.35 1.81 2.04 -1.03 -1.06 117.51 120.50 2pot h ILE 331 Ca 0.08 -1.79 0.08 0.00 1.00 0.00 0.00 64.86 64.22 2pot h ILE 331 Cb 0.39 1.79 -0.08 0.00 -0.74 0.00 0.00 36.82 38.18 2pot h ILE 331 CO 0.01 0.55 -0.18 -0.74 0.00 0.00 0.00 178.15 177.79 2pot h HIS 332 N 0.38 -0.45 -0.08 1.37 2.76 0.32 -1.09 115.15 118.36 2pot h HIS 332 Ca 0.01 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 2pot h HIS 332 Cb 1.07 0.25 -0.00 0.00 1.55 0.00 0.00 27.41 30.28 2pot h HIS 332 CO 0.04 -0.26 0.03 1.25 -1.30 0.00 0.00 177.93 177.69 2pot h HIS 333 N -0.13 0.12 -0.47 5.26 -0.00 -0.82 -2.07 115.15 117.04 2pot h HIS 333 Ca 0.18 -0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.59 2pot h HIS 333 Cb 0.40 -0.04 -0.05 0.00 -0.00 0.00 0.00 27.41 27.72 2pot h HIS 333 CO -0.40 0.25 0.18 -0.07 -0.00 0.00 0.00 177.93 177.90 2pot h LEU 334 N -0.04 0.21 -0.60 0.26 3.38 -1.05 -0.80 115.31 116.66 2pot h LEU 334 Ca 0.03 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2pot h LEU 334 Cb 0.18 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2pot h LEU 334 CO -0.00 0.15 -0.10 0.40 0.09 0.00 0.00 178.44 178.98 2pot h ILE 335 N 0.37 1.27 0.00 1.22 1.08 -1.12 -0.76 117.51 119.56 2pot h ILE 335 Ca 0.22 -1.25 -0.09 0.00 -0.39 0.00 0.00 64.86 63.36 2pot h ILE 335 Cb 0.20 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 34.89 2pot h ILE 335 CO -0.21 0.44 -0.41 0.03 -0.69 0.00 0.00 178.15 177.32 2pot h ARG 336 N 0.90 0.00 -0.02 2.37 3.08 -1.00 -1.45 114.38 118.26 2pot h ARG 336 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2pot h ARG 336 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2pot h ARG 336 CO 0.05 0.41 0.00 0.00 -1.07 0.00 0.00 179.97 179.35 2pot n ALA 337 N -2.43 2.63 -1.94 0.04 0.00 -0.34 -4.91 120.51 113.56 2pot n ALA 337 Ca -0.02 -0.26 -0.14 0.00 0.00 0.00 0.00 53.44 53.02 2pot n ALA 337 Cb 0.45 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 2pot n ALA 337 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pot n GLY 338 N 0.99 0.43 3.72 0.00 0.00 -0.55 -4.98 105.19 104.81 2pot n GLY 338 Ca 0.19 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 2pot n GLY 338 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pot s GLU 339 N -4.12 4.62 0.28 1.61 0.41 -0.35 -4.95 118.70 116.20 2pot s GLU 339 Ca 0.00 1.50 -0.03 0.00 -0.41 0.00 0.00 54.97 56.03 2pot s GLU 339 Cb 0.00 -3.39 0.39 0.00 -1.78 0.00 0.00 34.13 29.36 2pot s GLU 339 CO 0.00 0.08 1.95 0.82 -0.49 0.00 0.00 175.26 177.62 2pot h ILE 340 N 4.26 1.23 -0.61 -1.63 2.04 -1.93 -0.27 117.51 120.59 2pot h ILE 340 Ca -0.42 -0.43 0.13 0.00 1.00 0.00 0.00 64.86 65.14 2pot h ILE 340 Cb 1.21 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 2pot h ILE 340 CO 0.74 0.22 0.42 0.25 0.00 0.00 0.00 178.15 179.78 2pot h LEU 341 N 1.17 0.24 -0.18 1.44 5.85 -1.94 -1.03 115.31 120.86 2pot h LEU 341 Ca 0.31 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 2pot h LEU 341 Cb -0.11 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2pot h LEU 341 CO -0.07 0.14 0.09 1.23 -0.34 0.00 0.00 178.44 179.50 2pot h GLY 342 N 0.27 0.28 1.00 3.75 0.00 -1.32 -0.38 103.07 106.66 2pot h GLY 342 Ca 0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 2pot h GLY 342 CO -0.06 0.13 0.37 0.00 0.00 0.00 0.00 176.54 176.97 2pot h ALA 343 N 0.97 0.89 0.18 3.60 0.00 -1.20 -0.45 119.26 123.25 2pot h ALA 343 Ca 0.06 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2pot h ALA 343 Cb 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2pot h ALA 343 CO -0.01 0.41 -0.23 0.52 0.00 0.00 0.00 179.25 179.94 2pot h MET 344 N 0.95 -0.45 -0.49 0.00 2.07 -1.14 -1.13 114.93 114.73 2pot h MET 344 Ca 0.24 0.03 -0.04 0.00 -2.07 0.00 0.00 59.70 57.86 2pot h MET 344 Cb 0.05 0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 29.86 2pot h MET 344 CO -0.04 -0.30 0.16 -0.07 1.07 0.00 0.00 176.91 177.73 2pot h LEU 345 N -0.47 0.72 -1.14 1.22 3.38 -0.87 -1.42 115.31 116.73 2pot h LEU 345 Ca 0.01 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 2pot h LEU 345 Cb 0.46 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2pot h LEU 345 CO -0.09 0.73 0.16 0.24 0.09 0.00 0.00 178.44 179.57 2pot h MET 346 N 0.67 0.76 -0.08 1.13 2.86 -0.97 -0.52 114.93 118.78 2pot h MET 346 Ca 0.16 -0.13 -0.21 0.00 -2.06 0.00 0.00 59.70 57.46 2pot h MET 346 Cb 0.27 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 31.81 2pot h MET 346 CO -0.01 0.66 -0.76 1.15 1.06 0.00 0.00 176.91 179.02 2pot h THR 347 N 0.74 1.32 -0.41 2.22 2.02 -1.08 -1.29 112.91 116.43 2pot h THR 347 Ca 0.17 -2.02 -0.03 0.00 0.77 0.00 0.00 66.41 65.29 2pot h THR 347 Cb 0.22 2.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.84 2pot h THR 347 CO -0.01 0.62 0.12 -0.08 0.37 0.00 0.00 175.52 176.55 2pot h GLU 348 N 0.32 0.64 -0.47 6.66 4.81 -1.11 -1.12 114.58 124.31 2pot h GLU 348 Ca -0.07 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.04 2pot h GLU 348 Cb 1.41 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 2pot h GLU 348 CO 0.15 0.64 0.27 1.25 -0.73 0.00 0.00 179.01 180.60 2pot h HIS 349 N 0.52 0.51 -0.35 0.92 2.76 -1.01 -1.97 115.15 116.54 2pot h HIS 349 Ca 0.13 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.19 2pot h HIS 349 Cb 0.27 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 2pot h HIS 349 CO 0.01 0.29 -0.31 -0.91 -1.30 0.00 0.00 177.93 175.72 2pot h ASN 350 N 0.55 0.78 0.23 3.26 2.35 -0.91 -0.60 115.58 121.23 2pot h ASN 350 Ca 0.19 -0.31 -0.11 0.00 -0.55 0.00 0.00 56.30 55.51 2pot h ASN 350 Cb 0.02 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 2pot h ASN 350 CO -0.09 1.03 -0.43 0.40 -1.65 0.00 0.00 177.43 176.68 2pot h ILE 351 N 0.63 1.32 -0.27 2.81 1.08 -1.16 -1.65 117.51 120.27 2pot h ILE 351 Ca 0.07 -1.58 -0.06 0.00 -0.39 0.00 0.00 64.86 62.90 2pot h ILE 351 Cb 0.83 1.71 -0.01 0.00 -3.07 0.00 0.00 36.82 36.29 2pot h ILE 351 CO 0.07 0.47 -0.07 0.00 -0.69 0.00 0.00 178.15 177.93 2pot h ALA 352 N 1.33 0.38 0.15 1.87 0.00 -1.00 -0.38 119.26 121.61 2pot h ALA 352 Ca 0.02 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.66 2pot h ALA 352 Cb 0.86 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2pot h ALA 352 CO 0.07 0.19 -0.19 0.35 0.00 0.00 0.00 179.25 179.67 2pot h PHE 353 N 0.28 -0.51 -0.63 0.00 3.57 -1.05 0.31 116.94 118.91 2pot h PHE 353 Ca 0.07 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.62 2pot h PHE 353 Cb 0.55 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 2pot h PHE 353 CO 0.05 -0.29 0.36 1.88 -2.23 0.00 0.00 178.31 178.08 2pot h TYR 354 N -0.40 0.66 -0.69 0.41 -1.99 -1.21 0.42 116.97 114.18 2pot h TYR 354 Ca 0.01 0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.69 2pot h TYR 354 Cb 0.39 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.89 2pot h TYR 354 CO -0.17 0.34 0.15 1.96 -0.00 0.00 0.00 178.16 180.44 2pot h GLN 355 N 0.68 1.11 -0.54 4.88 1.08 -0.78 -0.97 115.11 120.57 2pot h GLN 355 Ca 0.27 -0.27 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 2pot h GLN 355 Cb 0.12 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 2pot h GLN 355 CO -0.15 0.99 0.19 1.96 -0.95 0.00 0.00 178.83 180.87 2pot h GLN 356 N 1.05 0.79 -0.74 1.46 4.20 0.33 -0.67 115.11 121.53 2pot h GLN 356 Ca 0.21 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 2pot h GLN 356 Cb 0.39 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 2pot h GLN 356 CO 0.01 0.67 0.28 1.25 -0.67 0.00 0.00 178.83 180.36 2pot h LEU 357 N 0.78 1.03 -0.64 1.46 5.85 0.56 -1.21 115.31 123.14 2pot h LEU 357 Ca 0.18 -0.18 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 2pot h LEU 357 Cb 0.20 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2pot h LEU 357 CO -0.01 0.94 -0.30 0.24 -0.34 0.00 0.00 178.44 178.96 2pot h MET 358 N 1.07 0.74 -0.24 1.25 2.86 -0.53 -1.30 114.93 118.77 2pot h MET 358 Ca 0.24 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 2pot h MET 358 Cb 0.24 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2pot h MET 358 CO -0.02 0.95 0.07 0.37 1.06 0.00 0.00 176.91 179.34 2pot h GLN 359 N 0.63 0.38 -0.95 1.72 5.75 -0.86 0.11 115.11 121.89 2pot h GLN 359 Ca 0.07 -0.09 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2pot h GLN 359 Cb 0.82 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.27 2pot h GLN 359 CO 0.07 0.47 0.63 0.87 -2.65 0.00 0.00 178.83 178.22 2pot h LYS 360 N 0.22 1.24 -0.28 1.69 1.57 -1.05 0.13 116.57 120.09 2pot h LYS 360 Ca 0.08 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2pot h LYS 360 Cb 0.25 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2pot h LYS 360 CO -0.00 0.82 0.09 0.82 -0.57 0.00 0.00 179.45 180.60 2pot h ILE 361 N 1.27 1.20 -0.01 1.86 2.04 -0.98 -0.12 117.51 122.77 2pot h ILE 361 Ca 0.35 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.59 2pot h ILE 361 Cb -0.12 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2pot h ILE 361 CO -0.08 0.21 -0.10 0.03 0.00 0.00 0.00 178.15 178.21 2pot h ARG 362 N 0.29 -0.16 -0.51 2.37 3.08 -0.48 -0.60 114.38 118.36 2pot h ARG 362 Ca 0.09 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 2pot h ARG 362 Cb 0.24 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2pot h ARG 362 CO -0.00 -0.11 0.29 -0.44 -1.07 0.00 0.00 179.97 178.64 2pot h ASP 363 N -0.17 0.63 0.23 7.04 3.32 -0.98 -1.61 116.42 124.89 2pot h ASP 363 Ca 0.04 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 2pot h ASP 363 Cb 0.22 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2pot h ASP 363 CO -0.11 0.53 -0.40 0.77 -1.72 0.00 0.00 179.24 178.32 2pot h SER 364 N 0.68 0.24 -0.14 6.45 4.64 -0.79 -1.50 113.55 123.13 2pot h SER 364 Ca 0.18 -0.10 -0.06 0.00 -0.47 0.00 0.00 61.79 61.34 2pot h SER 364 Cb 0.03 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2pot h SER 364 CO -0.03 0.62 -0.15 0.40 -0.87 0.00 0.00 176.83 176.80 2pot h ILE 365 N 0.19 1.35 -0.73 0.95 2.04 -0.89 0.26 117.51 120.68 2pot h ILE 365 Ca 0.02 -1.31 0.14 0.00 1.00 0.00 0.00 64.86 64.71 2pot h ILE 365 Cb 0.79 1.88 -0.05 0.00 -0.74 0.00 0.00 36.82 38.71 2pot h ILE 365 CO 0.06 0.38 0.49 -1.28 0.00 0.00 0.00 178.15 177.81 2pot h SER 366 N -0.02 0.38 0.30 1.72 0.87 -1.08 -0.05 113.55 115.66 2pot h SER 366 Ca 0.02 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2pot h SER 366 Cb 0.68 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2pot h SER 366 CO 0.04 0.20 -0.30 -0.62 -0.53 0.00 0.00 176.83 175.62 2pot n GLU 367 N -4.47 0.66 -2.60 2.24 1.02 -0.58 -4.96 120.64 111.95 2pot n GLU 367 Ca 0.14 -0.38 -0.12 0.00 -0.02 0.00 0.00 57.16 56.78 2pot n GLU 367 Cb 0.52 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.46 2pot n GLU 367 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pot n GLY 368 N 1.37 0.01 1.84 0.62 0.00 -0.03 -4.92 105.19 104.08 2pot n GLY 368 Ca 0.11 -0.31 0.01 0.00 0.00 0.00 0.00 46.02 45.82 2pot n GLY 368 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2pot n ARG 369 N -2.45 1.08 -0.02 1.61 1.85 0.76 -4.85 116.66 114.63 2pot n ARG 369 Ca -0.07 -2.84 -0.13 0.00 -1.00 0.00 0.00 57.85 53.81 2pot n ARG 369 Cb 0.57 -0.92 -0.00 0.00 -1.05 0.00 0.00 32.46 31.05 2pot n ARG 369 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 2pot h PHE 370 N 1.61 0.88 -0.72 2.89 3.57 -1.83 -1.40 116.94 121.94 2pot h PHE 370 Ca -0.12 -0.34 -0.06 0.00 3.53 0.00 0.00 57.97 60.99 2pot h PHE 370 Cb 1.55 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 40.10 2pot h PHE 370 CO 0.42 1.13 0.23 0.66 -2.23 0.00 0.00 178.31 178.52 2pot h SER 371 N 0.51 1.05 -0.50 0.41 4.64 -1.91 0.46 113.55 118.22 2pot h SER 371 Ca -0.01 -0.21 0.02 0.00 -0.47 0.00 0.00 61.79 61.12 2pot h SER 371 Cb 1.20 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.99 2pot h SER 371 CO 0.12 0.98 0.31 -0.61 -0.87 0.00 0.00 176.83 176.76 2pot h GLN 372 N 1.07 0.61 -0.22 4.77 5.75 -1.92 -2.13 115.11 123.04 2pot h GLN 372 Ca 0.23 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.73 2pot h GLN 372 Cb 0.30 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 2pot h GLN 372 CO -0.01 0.40 0.04 0.35 -2.65 0.00 0.00 178.83 176.96 2pot h PHE 373 N 0.63 0.06 -0.94 3.99 3.57 -0.28 0.12 116.94 124.09 2pot h PHE 373 Ca 0.19 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.72 2pot h PHE 373 Cb -0.02 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 2pot h PHE 373 CO -0.06 0.01 0.62 0.00 -2.23 0.00 0.00 178.31 176.66 2pot h ALA 374 N 1.16 1.34 0.40 2.41 0.00 0.11 0.34 119.26 125.01 2pot h ALA 374 Ca 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2pot h ALA 374 Cb 0.10 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2pot h ALA 374 CO -0.14 0.61 -0.19 0.37 0.00 0.00 0.00 179.25 179.90 2pot h GLN 375 N 1.26 -0.52 -0.85 0.00 4.15 -1.01 -1.55 115.11 116.61 2pot h GLN 375 Ca 0.35 0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.83 2pot h GLN 375 Cb -0.13 0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.63 2pot h GLN 375 CO -0.08 -0.23 0.55 -0.44 -1.93 0.00 0.00 178.83 176.70 2pot h ASP 376 N -0.77 0.91 -0.22 -0.69 3.32 -0.46 -2.08 116.42 116.44 2pot h ASP 376 Ca -0.05 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.02 2pot h ASP 376 Cb 0.52 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 2pot h ASP 376 CO 0.09 0.63 0.03 0.15 -1.72 0.00 0.00 179.24 178.42 2pot h PHE 377 N 1.07 0.04 -0.63 4.55 3.57 -0.24 -2.94 116.94 122.35 2pot h PHE 377 Ca 0.33 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.77 2pot h PHE 377 Cb -0.01 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2pot h PHE 377 CO -0.02 0.00 0.09 0.00 -2.23 0.00 0.00 178.31 176.15 2pot h ARG 378 N 0.11 1.05 0.25 1.11 3.08 -0.84 -1.13 114.38 118.01 2pot h ARG 378 Ca 0.10 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2pot h ARG 378 Cb 0.11 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 2pot h ARG 378 CO -0.14 0.98 -0.53 0.00 -1.07 0.00 0.00 179.97 179.21 2pot h ALA 379 N 1.03 -1.05 0.77 0.04 0.00 -1.22 0.11 119.26 118.94 2pot h ALA 379 Ca 0.19 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2pot h ALA 379 Cb 0.45 0.85 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2pot h ALA 379 CO 0.01 -1.15 -0.44 0.00 0.00 0.00 0.00 179.25 177.68 2pot h ARG 380 N -0.84 -1.08 -0.88 0.00 3.08 -1.56 0.17 114.38 113.28 2pot h ARG 380 Ca -0.03 0.07 0.15 0.00 0.07 0.00 0.00 59.98 60.25 2pot h ARG 380 Cb 0.80 0.24 -0.07 0.00 0.08 0.00 0.00 29.97 31.03 2pot h ARG 380 CO -0.22 -0.72 0.57 -0.92 -1.07 0.00 0.00 179.97 177.61 2pot h TYR 381 N -1.12 0.74 0.00 3.04 3.20 -0.80 -0.90 116.97 121.13 2pot h TYR 381 Ca -0.10 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.77 2pot h TYR 381 Cb 0.88 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 2pot h TYR 381 CO -0.05 0.26 -1.33 1.19 -1.64 0.00 0.00 178.16 176.59 2pot n PHE 382 N -4.55 0.69 0.00 -3.82 3.72 0.39 -3.75 117.46 110.13 2pot n PHE 382 Ca 0.17 0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.78 2pot n PHE 382 Cb 0.51 -0.85 0.00 0.00 -0.94 0.00 0.00 39.48 38.21 2pot n PHE 382 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71