#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wet s ILE 2 N 0.00 4.94 -0.13 1.12 -4.36 -1.26 -4.62 121.20 116.88 2wet s ILE 2 Ca 0.00 0.25 0.00 0.00 -0.26 0.00 0.00 60.65 60.64 2wet s ILE 2 Cb 0.00 -3.74 -0.08 0.00 1.25 0.00 0.00 42.46 39.88 2wet s ILE 2 CO 0.00 -0.42 -0.12 -1.14 0.24 0.00 0.00 174.94 173.50 2wet n ARG 3 N -1.14 0.33 -4.27 0.37 0.63 -1.26 -4.96 116.66 106.36 2wet n ARG 3 Ca -0.00 0.08 -0.17 0.00 -0.92 0.00 0.00 57.85 56.84 2wet n ARG 3 Cb 0.54 -1.24 -0.14 0.00 0.45 0.00 0.00 32.46 32.06 2wet n ARG 3 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2wet s SER 4 N -5.37 0.89 -0.10 6.15 1.04 -1.26 -0.79 113.70 114.26 2wet s SER 4 Ca -0.18 -0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.11 2wet s SER 4 Cb 0.05 -0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.06 2wet s SER 4 CO 0.30 0.07 -0.16 -0.69 0.98 0.00 0.00 173.24 173.75 2wet s VAL 5 N -0.25 2.86 -0.24 5.02 1.01 0.51 -1.37 120.40 127.94 2wet s VAL 5 Ca 0.02 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 2wet s VAL 5 Cb -0.03 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.21 2wet s VAL 5 CO -0.00 0.55 -0.05 -0.69 0.00 0.00 0.00 175.10 174.91 2wet s VAL 6 N -0.02 3.06 -0.18 2.92 1.01 0.43 -1.61 120.40 126.01 2wet s VAL 6 Ca -0.04 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 2wet s VAL 6 Cb -0.14 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 2wet s VAL 6 CO 0.04 0.29 0.14 -0.63 0.00 0.00 0.00 175.10 174.94 2wet s ILE 7 N 1.39 5.42 -0.27 2.22 1.01 0.13 -0.86 121.20 130.23 2wet s ILE 7 Ca 0.03 0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.85 2wet s ILE 7 Cb -0.16 -3.46 0.02 0.00 0.01 0.00 0.00 42.46 38.87 2wet s ILE 7 CO -0.04 0.47 -0.00 -0.69 0.00 0.00 0.00 174.94 174.68 2wet s VAL 8 N 0.09 3.29 0.00 2.92 1.01 -0.43 -0.94 120.40 126.35 2wet s VAL 8 Ca 0.10 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2wet s VAL 8 Cb -0.11 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.56 2wet s VAL 8 CO -0.01 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.82 2wet n GLY 9 N 4.74 3.48 1.67 4.51 0.00 0.10 -0.22 105.19 119.47 2wet n GLY 9 Ca -0.15 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 2wet n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wet n GLY 10 N 0.22 5.50 0.00 -0.02 0.00 -1.26 -4.07 105.19 105.56 2wet n GLY 10 Ca 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.92 2wet n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wet n GLY 11 N -0.77 -0.77 0.35 -0.02 0.00 -1.26 -4.79 105.19 97.92 2wet n GLY 11 Ca 0.33 -1.67 0.05 0.00 0.00 0.00 0.00 46.02 44.73 2wet n GLY 11 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2wet h THR 12 N -0.43 1.05 0.39 2.61 2.02 -1.95 -2.56 112.91 114.03 2wet h THR 12 Ca 0.00 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 2wet h THR 12 Cb 0.00 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 2wet h THR 12 CO 0.00 0.15 -0.19 0.00 0.37 0.00 0.00 175.52 175.85 2wet h ALA 13 N 1.60 -0.53 -0.46 6.16 0.00 -1.91 -0.40 119.26 123.72 2wet h ALA 13 Ca 0.30 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.13 2wet h ALA 13 Cb 0.18 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.08 2wet h ALA 13 CO -0.10 -0.68 -0.19 0.78 0.00 0.00 0.00 179.25 179.06 2wet h GLY 14 N -0.77 0.16 1.90 0.00 0.00 -1.67 -1.77 103.07 100.91 2wet h GLY 14 Ca -0.05 0.25 -0.19 0.00 0.00 0.00 0.00 47.33 47.34 2wet h GLY 14 CO 0.09 -0.20 -0.87 1.49 0.00 0.00 0.00 176.54 177.04 2wet h TRP 15 N -0.10 0.14 -0.84 5.60 4.06 -1.45 -1.28 115.95 122.08 2wet h TRP 15 Ca 0.22 -0.08 0.01 0.00 2.06 0.00 0.00 58.89 61.09 2wet h TRP 15 Cb 0.44 -0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 28.54 2wet h TRP 15 CO -0.46 0.91 0.54 0.52 -3.56 0.00 0.00 178.44 176.39 2wet h MET 16 N 0.05 1.11 -0.23 0.49 2.86 -0.90 -1.51 114.93 116.79 2wet h MET 16 Ca -0.03 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 2wet h MET 16 Cb 1.51 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.92 2wet h MET 16 CO 0.12 0.75 -0.04 1.15 1.06 0.00 0.00 176.91 179.95 2wet h THR 17 N 1.14 1.28 -0.09 2.22 2.02 -1.07 -0.85 112.91 117.55 2wet h THR 17 Ca 0.31 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 2wet h THR 17 Cb -0.11 1.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2wet h THR 17 CO -0.06 0.31 0.03 0.00 0.37 0.00 0.00 175.52 176.17 2wet h ALA 18 N 0.77 0.11 -0.19 6.16 0.00 -1.19 -1.20 119.26 123.72 2wet h ALA 18 Ca 0.06 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2wet h ALA 18 Cb 0.48 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2wet h ALA 18 CO 0.02 -0.30 -0.11 0.77 0.00 0.00 0.00 179.25 179.63 2wet h SER 19 N -0.02 -0.35 -0.59 0.00 0.02 -1.24 -2.47 113.55 108.89 2wet h SER 19 Ca 0.03 0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 2wet h SER 19 Cb 0.17 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 2wet h SER 19 CO -0.00 -0.14 0.01 0.22 -1.14 0.00 0.00 176.83 175.78 2wet h TYR 20 N -0.10 1.11 -0.80 3.45 3.20 -0.97 -0.46 116.97 122.41 2wet h TYR 20 Ca 0.11 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 2wet h TYR 20 Cb 0.26 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.19 2wet h TYR 20 CO -0.26 0.99 0.46 -0.07 -1.64 0.00 0.00 178.16 177.64 2wet h LEU 21 N 0.92 0.98 -0.35 2.82 3.38 -1.15 0.20 115.31 122.10 2wet h LEU 21 Ca 0.17 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 2wet h LEU 21 Cb 0.53 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2wet h LEU 21 CO 0.03 0.77 -0.31 0.11 0.09 0.00 0.00 178.44 179.13 2wet h LYS 22 N 1.10 0.83 -0.87 1.13 1.79 -1.16 -0.88 116.57 118.50 2wet h LYS 22 Ca 0.28 -0.42 0.03 0.00 -2.18 0.00 0.00 60.65 58.36 2wet h LYS 22 Cb -0.01 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.60 2wet h LYS 22 CO -0.05 1.06 0.57 0.00 -1.08 0.00 0.00 179.45 179.95 2wet h ALA 23 N 0.75 1.14 -0.05 3.86 0.00 -0.80 0.22 119.26 124.38 2wet h ALA 23 Ca 0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2wet h ALA 23 Cb 0.89 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2wet h ALA 23 CO 0.08 0.43 -0.08 0.00 0.00 0.00 0.00 179.25 179.68 2wet h ALA 24 N 1.35 0.08 -0.00 0.00 0.00 -0.39 -3.39 119.26 116.91 2wet h ALA 24 Ca 0.34 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2wet h ALA 24 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wet h ALA 24 CO -0.11 -0.09 -0.20 1.19 0.00 0.00 0.00 179.25 180.05 2wet n PHE 25 N -4.70 0.00 0.00 0.00 3.72 -0.36 -5.07 117.46 111.05 2wet n PHE 25 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2wet n PHE 25 Cb 0.33 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 2wet n PHE 25 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2wet n ASP 26 N -1.05 0.00 -0.24 4.37 2.03 0.77 -0.71 116.55 121.72 2wet n ASP 26 Ca 0.01 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.41 2wet n ASP 26 Cb 0.07 0.00 0.42 0.00 -0.72 0.00 0.00 41.12 40.89 2wet n ASP 26 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2wet n ASP 27 N 4.84 0.73 -1.43 1.67 5.75 -1.26 -3.45 116.55 123.40 2wet n ASP 27 Ca 0.00 -1.61 0.06 0.00 -0.01 0.00 0.00 54.79 53.24 2wet n ASP 27 Cb 0.00 -0.05 0.30 0.00 -1.03 0.00 0.00 41.12 40.33 2wet n ASP 27 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2wet n ARG 28 N -0.28 3.54 -3.74 0.11 5.12 0.11 -4.81 116.66 116.71 2wet n ARG 28 Ca 0.14 -2.32 -0.13 0.00 -1.93 0.00 0.00 57.85 53.61 2wet n ARG 28 Cb 0.17 -1.91 -0.11 0.00 -1.16 0.00 0.00 32.46 29.45 2wet n ARG 28 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 2wet s ILE 29 N -2.05 -0.01 -0.19 0.55 1.10 -1.22 -4.93 121.20 114.44 2wet s ILE 29 Ca 0.41 0.03 -0.09 0.00 -0.51 0.00 0.00 60.65 60.48 2wet s ILE 29 Cb 0.29 -0.50 -0.05 0.00 0.15 0.00 0.00 42.46 42.35 2wet s ILE 29 CO 0.16 0.01 0.11 -1.81 -2.11 0.00 0.00 174.94 171.30 2wet s ASP 30 N 0.46 6.01 -0.04 4.50 1.01 0.03 -4.90 116.67 123.74 2wet s ASP 30 Ca -0.02 0.18 0.03 0.00 0.71 0.00 0.00 52.55 53.44 2wet s ASP 30 Cb -0.04 -2.05 0.01 0.00 1.01 0.00 0.00 42.92 41.85 2wet s ASP 30 CO -0.02 0.18 -0.10 -0.69 0.21 0.00 0.00 175.17 174.74 2wet s VAL 31 N 0.38 0.90 -0.05 -1.27 1.01 -1.26 -0.36 120.40 119.75 2wet s VAL 31 Ca 0.06 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.67 2wet s VAL 31 Cb -0.12 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.46 2wet s VAL 31 CO -0.01 0.28 -0.13 -0.89 0.00 0.00 0.00 175.10 174.35 2wet s THR 32 N 0.32 1.15 -0.12 3.92 2.01 -0.64 -1.05 115.64 121.23 2wet s THR 32 Ca -0.06 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.43 2wet s THR 32 Cb -0.11 -1.02 0.01 0.00 0.01 0.00 0.00 72.50 71.39 2wet s THR 32 CO 0.01 0.35 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.86 2wet s LEU 33 N 0.29 2.00 -0.13 4.42 0.20 0.64 -0.70 118.68 125.41 2wet s LEU 33 Ca -0.07 -0.55 -0.01 0.00 0.69 0.00 0.00 54.13 54.19 2wet s LEU 33 Cb -0.12 -1.34 -0.02 0.00 -0.43 0.00 0.00 46.19 44.28 2wet s LEU 33 CO 0.02 0.08 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.37 2wet s VAL 34 N 0.75 3.33 -0.07 1.68 1.01 -0.11 -0.55 120.40 126.43 2wet s VAL 34 Ca -0.10 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 2wet s VAL 34 Cb -0.16 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.83 2wet s VAL 34 CO 0.01 0.52 0.26 -1.83 0.00 0.00 0.00 175.10 174.05 2wet s GLU 35 N 0.26 0.41 0.31 2.72 -1.05 -0.35 0.00 118.70 121.00 2wet s GLU 35 Ca -0.07 0.15 -0.29 0.00 -0.15 0.00 0.00 54.97 54.60 2wet s GLU 35 Cb -0.15 0.19 -0.10 0.00 -0.44 0.00 0.00 34.13 33.63 2wet s GLU 35 CO 0.05 -0.08 1.34 0.45 0.95 0.00 0.00 175.26 177.97 2wet s SER 36 N -0.37 6.74 0.00 0.83 0.15 -1.09 -1.20 113.70 118.75 2wet s SER 36 Ca -0.05 2.68 0.28 0.00 0.70 0.00 0.00 55.95 59.56 2wet s SER 36 Cb -0.03 -2.64 1.06 0.00 -1.71 0.00 0.00 66.02 62.70 2wet s SER 36 CO 0.01 -0.58 1.80 0.61 1.20 0.00 0.00 173.24 176.28 2wet n GLY 37 N 1.20 -1.41 0.00 9.45 0.00 -1.26 -4.36 105.19 108.81 2wet n GLY 37 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2wet n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wet n ASN 38 N -1.47 1.94 -4.51 1.61 0.23 -1.26 -4.95 115.26 106.85 2wet n ASN 38 Ca 0.07 -0.26 -0.42 0.00 -0.53 0.00 0.00 54.58 53.43 2wet n ASN 38 Cb 0.33 0.91 -0.08 0.00 -2.08 0.00 0.00 39.78 38.86 2wet n ASN 38 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2wet s VAL 39 N -1.30 5.05 0.65 3.53 1.01 -1.26 -5.04 120.40 123.04 2wet s VAL 39 Ca 0.00 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.69 2wet s VAL 39 Cb 0.00 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 32.36 2wet s VAL 39 CO 0.00 -0.37 1.14 -0.13 0.00 0.00 0.00 175.10 175.74 2wet s ARG 40 N 2.25 2.76 0.82 2.72 1.81 -1.26 -4.77 118.95 123.28 2wet s ARG 40 Ca 0.14 1.52 -0.12 0.00 -1.72 0.00 0.00 55.73 55.56 2wet s ARG 40 Cb -0.16 -1.93 0.09 0.00 -0.45 0.00 0.00 34.95 32.49 2wet s ARG 40 CO 0.14 -1.31 1.15 1.03 -0.68 0.00 0.00 175.30 175.63 2wet s ARG 41 N -3.89 1.71 0.35 3.54 0.52 -1.26 -4.92 118.95 115.00 2wet s ARG 41 Ca 0.70 1.50 0.13 0.00 -0.52 0.00 0.00 55.73 57.54 2wet s ARG 41 Cb -0.23 -1.81 0.96 0.00 0.52 0.00 0.00 34.95 34.39 2wet s ARG 41 CO 0.40 -2.11 1.74 0.97 0.02 0.00 0.00 175.30 176.32 2wet h ILE 42 N -1.18 0.53 0.00 1.52 6.09 -1.99 -3.45 117.51 119.03 2wet h ILE 42 Ca -0.45 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 62.87 2wet h ILE 42 Cb 1.26 -0.03 0.00 0.00 0.47 0.00 0.00 36.82 38.52 2wet h ILE 42 CO 0.47 0.09 0.00 0.61 -3.07 0.00 0.00 178.15 176.25 2wet n GLY 43 N -1.37 1.18 2.54 8.18 0.00 -1.26 -5.04 105.19 109.43 2wet n GLY 43 Ca 0.26 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 2wet n GLY 43 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wet n VAL 44 N -2.00 0.00 0.00 1.61 0.24 -1.26 -4.83 118.33 112.09 2wet n VAL 44 Ca 0.00 -1.73 0.00 0.00 -2.04 0.00 0.00 64.34 60.57 2wet n VAL 44 Cb 0.00 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 2wet n VAL 44 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wet n GLY 45 N 0.41 0.75 0.00 7.63 0.00 -1.26 -4.90 105.19 107.82 2wet n GLY 45 Ca -0.11 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2wet n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wet n GLU 46 N 0.00 -0.39 -4.35 1.61 1.02 -1.26 -4.56 120.64 112.71 2wet n GLU 46 Ca 0.00 -0.33 -0.26 0.00 -0.02 0.00 0.00 57.16 56.55 2wet n GLU 46 Cb 0.00 -0.82 -0.12 0.00 -0.02 0.00 0.00 31.44 30.47 2wet n GLU 46 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wet s ALA 47 N -0.04 2.12 0.32 0.62 0.00 -1.26 -0.79 121.76 122.73 2wet s ALA 47 Ca 0.00 -1.41 0.03 0.00 0.00 0.00 0.00 51.96 50.58 2wet s ALA 47 Cb 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 2wet s ALA 47 CO 0.00 0.41 0.08 0.95 0.00 0.00 0.00 175.76 177.20 2wet s THR 48 N -1.33 0.89 0.37 0.00 -4.23 -0.27 -4.81 115.64 106.24 2wet s THR 48 Ca 0.12 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.71 2wet s THR 48 Cb -0.09 -2.67 -0.02 0.00 1.34 0.00 0.00 72.50 71.07 2wet s THR 48 CO 0.06 0.00 0.40 0.12 -0.54 0.00 0.00 174.62 174.66 2wet s PHE 49 N -3.41 2.90 0.25 3.99 5.36 -1.25 -4.45 117.98 121.37 2wet s PHE 49 Ca 0.35 -0.34 0.35 0.00 -0.96 0.00 0.00 56.93 56.33 2wet s PHE 49 Cb 0.07 -2.02 1.81 0.00 -0.34 0.00 0.00 43.02 42.55 2wet s PHE 49 CO 0.15 -0.02 2.07 0.66 -1.46 0.00 0.00 175.22 176.62 2wet h SER 50 N 1.02 0.00 1.17 6.13 4.64 -1.88 -2.33 113.55 122.29 2wet h SER 50 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2wet h SER 50 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2wet h SER 50 CO 0.55 0.00 0.00 0.71 -0.87 0.00 0.00 176.83 177.22 2wet h THR 51 N 0.00 0.00 -0.02 2.95 1.35 -1.93 -3.37 112.91 111.90 2wet h THR 51 Ca 0.00 -0.56 0.01 0.00 -0.55 0.00 0.00 66.41 65.30 2wet h THR 51 Cb 0.12 1.53 -0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2wet h THR 51 CO 0.00 0.00 0.01 1.62 -0.25 0.00 0.00 175.52 176.90 2wet h VAL 52 N 0.00 0.93 -0.82 6.82 3.04 -1.80 -1.21 116.25 123.22 2wet h VAL 52 Ca 0.00 0.00 0.16 0.00 -1.01 0.00 0.00 66.70 65.85 2wet h VAL 52 Cb 0.58 0.99 -0.06 0.00 -2.01 0.00 0.00 31.29 30.80 2wet h VAL 52 CO 0.00 0.00 0.54 0.08 -1.01 0.00 0.00 177.57 177.18 2wet h ARG 53 N 0.00 0.45 -0.28 4.17 0.11 -1.84 -1.16 114.38 115.84 2wet h ARG 53 Ca 0.01 -0.03 -0.10 0.00 0.10 0.00 0.00 59.98 59.96 2wet h ARG 53 Cb 0.04 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.00 2wet h ARG 53 CO -0.00 0.30 -0.25 0.45 0.10 0.00 0.00 179.97 180.57 2wet h HIS 54 N 0.47 0.61 0.00 4.08 3.86 -1.51 -0.32 115.15 122.33 2wet h HIS 54 Ca 0.41 -0.13 -0.00 0.00 -1.16 0.00 0.00 60.37 59.49 2wet h HIS 54 Cb 0.91 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.23 2wet h HIS 54 CO -0.00 0.75 -0.00 0.35 0.86 0.00 0.00 177.93 179.88 2wet h PHE 55 N 0.48 -0.00 -0.49 2.45 3.57 -1.32 -0.79 116.94 120.84 2wet h PHE 55 Ca 0.07 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.46 2wet h PHE 55 Cb 0.69 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 2wet h PHE 55 CO 0.03 0.11 -0.13 0.74 -2.23 0.00 0.00 178.31 176.83 2wet h PHE 56 N -0.11 1.01 -0.70 0.41 0.04 -1.35 -2.29 116.94 113.95 2wet h PHE 56 Ca -0.00 -0.21 0.03 0.00 2.80 0.00 0.00 57.97 60.59 2wet h PHE 56 Cb 0.11 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 37.97 2wet h PHE 56 CO -0.04 0.97 0.43 -0.44 -0.60 0.00 0.00 178.31 178.64 2wet h ASP 57 N 0.81 0.71 -0.73 2.17 3.32 -1.00 -0.34 116.42 121.36 2wet h ASP 57 Ca 0.13 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 2wet h ASP 57 Cb 0.66 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 2wet h ASP 57 CO 0.05 0.49 0.42 0.22 -1.72 0.00 0.00 179.24 178.70 2wet h TYR 58 N 0.85 1.00 0.00 4.55 3.20 -0.89 -1.01 116.97 124.67 2wet h TYR 58 Ca 0.28 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.14 2wet h TYR 58 Cb 0.02 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 37.97 2wet h TYR 58 CO -0.04 0.69 0.00 1.28 -1.64 0.00 0.00 178.16 178.44 2wet n LEU 59 N -4.37 0.61 0.00 2.82 4.32 -0.88 -4.90 117.00 114.60 2wet n LEU 59 Ca 0.08 0.63 0.00 0.00 -0.02 0.00 0.00 56.01 56.69 2wet n LEU 59 Cb 0.09 -0.52 0.00 0.00 -1.62 0.00 0.00 43.42 41.37 2wet n LEU 59 CO 0.38 -0.44 0.00 0.61 -1.22 0.00 0.00 177.39 176.72 2wet n GLY 60 N 0.30 0.55 3.21 -0.72 0.00 -0.38 -5.04 105.19 103.10 2wet n GLY 60 Ca 0.03 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 2wet n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wet s LEU 61 N 0.00 3.08 0.50 0.99 1.43 -0.18 -5.02 118.68 119.48 2wet s LEU 61 Ca 0.00 -0.80 -0.21 0.00 -1.03 0.00 0.00 54.13 52.09 2wet s LEU 61 Cb 0.00 -1.66 -0.07 0.00 0.03 0.00 0.00 46.19 44.49 2wet s LEU 61 CO 0.00 -0.11 1.10 -0.62 0.23 0.00 0.00 176.35 176.95 2wet s ASP 62 N 1.34 6.06 0.49 2.29 2.15 -1.26 -4.07 116.67 123.67 2wet s ASP 62 Ca 0.01 2.11 0.14 0.00 0.43 0.00 0.00 52.55 55.24 2wet s ASP 62 Cb -0.16 -2.58 1.17 0.00 -0.30 0.00 0.00 42.92 41.05 2wet s ASP 62 CO -0.05 -0.98 2.12 1.05 -0.17 0.00 0.00 175.17 177.14 2wet h GLU 63 N 1.53 0.09 0.00 4.34 4.11 -1.98 -0.21 114.58 122.47 2wet h GLU 63 Ca -0.50 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 58.91 2wet h GLU 63 Cb 1.24 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 2wet h GLU 63 CO 0.58 0.08 -0.08 0.00 0.07 0.00 0.00 179.01 179.66 2wet h ARG 64 N 0.10 0.00 0.05 1.06 3.08 -1.96 -1.22 114.38 115.48 2wet h ARG 64 Ca 0.03 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.85 2wet h ARG 64 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2wet h ARG 64 CO -0.00 0.08 -1.19 1.49 -1.07 0.00 0.00 179.97 179.28 2wet h GLU 65 N 0.00 0.10 0.01 0.04 4.57 -1.43 -3.42 114.58 114.44 2wet h GLU 65 Ca -0.00 -0.16 -0.29 0.00 -1.18 0.00 0.00 59.36 57.72 2wet h GLU 65 Cb 0.18 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.78 2wet h GLU 65 CO 0.01 1.08 -1.69 0.11 -1.18 0.00 0.00 179.01 177.34 2wet h TRP 66 N -0.70 0.04 0.00 0.92 5.08 -1.32 -3.37 115.95 116.60 2wet h TRP 66 Ca -0.29 -0.03 -0.00 0.00 1.08 0.00 0.00 58.89 59.65 2wet h TRP 66 Cb 1.46 -0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.62 2wet h TRP 66 CO 0.13 1.05 -0.00 1.25 -1.28 0.00 0.00 178.44 179.59 2wet h LEU 67 N 0.01 -0.01 -2.06 0.11 5.85 -1.47 -1.08 115.31 116.65 2wet h LEU 67 Ca -0.28 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 2wet h LEU 67 Cb 2.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.03 2wet h LEU 67 CO 0.08 0.28 -0.04 -0.65 -0.34 0.00 0.00 178.44 177.77 2wet h PRO 68 N -0.29 0.00 0.00 5.25 0.11 -1.78 -0.80 132.00 134.50 2wet h PRO 68 Ca -0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 2wet h PRO 68 Cb 0.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 2wet h PRO 68 CO 0.00 0.04 -0.33 -0.09 -0.21 0.00 0.00 178.00 177.41 2wet h ARG 69 N 0.00 0.00 -0.59 1.05 9.65 -1.68 -1.95 114.38 120.87 2wet h ARG 69 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2wet h ARG 69 Cb 0.08 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 2wet h ARG 69 CO 0.01 0.18 0.00 0.00 2.80 0.00 0.00 179.97 182.96 2wet n ALA 71 N 0.86 -0.72 -2.24 0.00 0.00 -0.66 -1.55 120.51 116.21 2wet n ALA 71 Ca 0.25 0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.68 2wet n ALA 71 Cb 0.92 -2.11 0.10 0.00 0.00 0.00 0.00 19.45 18.37 2wet n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wet n GLY 72 N -0.99 0.06 0.00 0.00 0.00 -0.40 -1.44 105.19 102.43 2wet n GLY 72 Ca -0.20 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.91 2wet n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wet n GLY 73 N -0.57 3.64 3.88 -0.02 0.00 0.54 -3.78 105.19 108.87 2wet n GLY 73 Ca 0.12 -1.53 -0.36 0.00 0.00 0.00 0.00 46.02 44.25 2wet n GLY 73 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wet s TYR 74 N -3.37 3.57 -0.32 1.61 1.51 -1.26 -1.43 117.35 117.66 2wet s TYR 74 Ca 0.00 0.48 0.04 0.00 -1.01 0.00 0.00 57.07 56.57 2wet s TYR 74 Cb 0.00 -1.91 0.09 0.00 -0.11 0.00 0.00 41.96 40.03 2wet s TYR 74 CO 0.00 0.71 0.02 0.21 -1.11 0.00 0.00 175.55 175.38 2wet s LYS 75 N -1.25 1.60 0.05 -0.62 2.20 -0.10 -3.23 119.74 118.40 2wet s LYS 75 Ca 0.18 -1.73 0.26 0.00 -0.36 0.00 0.00 55.97 54.32 2wet s LYS 75 Cb -0.12 -3.09 0.62 0.00 -1.51 0.00 0.00 37.83 33.73 2wet s LYS 75 CO 0.08 -0.86 1.52 1.28 -0.36 0.00 0.00 175.35 177.00 2wet n LEU 76 N 4.32 0.49 0.00 5.43 4.77 0.36 -0.96 117.00 131.40 2wet n LEU 76 Ca -0.00 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2wet n LEU 76 Cb 0.42 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2wet n LEU 76 CO 0.21 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 2wet n GLY 77 N 1.43 -1.18 3.17 -0.72 0.00 -1.26 -1.15 105.19 105.48 2wet n GLY 77 Ca 0.05 -1.12 -0.28 0.00 0.00 0.00 0.00 46.02 44.67 2wet n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wet s ILE 78 N -3.00 1.66 -0.29 -0.61 1.01 0.66 -2.52 121.20 118.11 2wet s ILE 78 Ca 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 59.67 2wet s ILE 78 Cb 0.00 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 2wet s ILE 78 CO 0.00 0.47 0.37 -0.60 0.00 0.00 0.00 174.94 175.18 2wet s ARG 79 N 0.13 3.89 -0.35 2.79 3.52 0.15 0.26 118.95 129.33 2wet s ARG 79 Ca -0.08 -0.09 -0.14 0.00 -0.13 0.00 0.00 55.73 55.28 2wet s ARG 79 Cb -0.14 -3.70 -0.01 0.00 -1.56 0.00 0.00 34.95 29.54 2wet s ARG 79 CO 0.04 -0.35 0.31 -0.06 -0.81 0.00 0.00 175.30 174.43 2wet s PHE 80 N 2.06 3.22 -0.09 5.12 0.08 0.02 -0.54 117.98 127.84 2wet s PHE 80 Ca 0.14 -0.14 0.01 0.00 0.12 0.00 0.00 56.93 57.06 2wet s PHE 80 Cb -0.16 -2.60 -0.02 0.00 -0.57 0.00 0.00 43.02 39.67 2wet s PHE 80 CO 0.11 -0.42 -0.12 -1.21 -0.10 0.00 0.00 175.22 173.48 2wet s GLU 81 N 1.89 2.98 -0.71 0.44 2.02 -0.20 -2.22 118.70 122.90 2wet s GLU 81 Ca 0.09 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.43 2wet s GLU 81 Cb -0.17 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.51 2wet s GLU 81 CO 0.11 0.44 0.00 0.09 0.02 0.00 0.00 175.26 175.92 2wet n ASN 82 N 2.87 -4.44 0.14 -0.19 3.02 -0.24 -0.89 115.26 115.53 2wet n ASN 82 Ca -0.18 0.17 -0.01 0.00 -0.03 0.00 0.00 54.58 54.53 2wet n ASN 82 Cb 0.53 -2.53 0.18 0.00 -0.61 0.00 0.00 39.78 37.35 2wet n ASN 82 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 2wet h TRP 83 N 0.00 0.00 0.00 3.10 4.06 -1.84 -3.42 115.95 117.85 2wet h TRP 83 Ca -0.14 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.81 2wet h TRP 83 Cb 0.65 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.81 2wet h TRP 83 CO 0.32 0.60 0.00 0.43 -3.56 0.00 0.00 178.44 176.23 2wet n SER 84 N -3.79 0.00 -4.76 -3.49 7.64 -1.26 -2.00 113.62 105.96 2wet n SER 84 Ca -0.01 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.46 2wet n SER 84 Cb 0.61 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.79 2wet n SER 84 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2wet s GLU 85 N 0.45 4.25 0.31 1.43 0.41 -1.26 -3.84 118.70 120.44 2wet s GLU 85 Ca 0.00 2.36 -0.28 0.00 -0.41 0.00 0.00 54.97 56.63 2wet s GLU 85 Cb 0.00 -3.07 -0.09 0.00 -1.78 0.00 0.00 34.13 29.19 2wet s GLU 85 CO 0.00 -0.40 1.12 -1.25 -0.49 0.00 0.00 175.26 174.24 2wet s PRO 86 N -1.02 4.50 0.00 0.39 0.05 -1.26 -2.79 135.00 134.88 2wet s PRO 86 Ca 0.56 1.82 0.00 0.00 0.05 0.00 0.00 61.00 63.43 2wet s PRO 86 Cb -0.43 -3.06 0.00 0.00 0.05 0.00 0.00 34.50 31.07 2wet s PRO 86 CO 0.49 0.08 0.00 0.41 0.05 0.00 0.00 177.00 178.04 2wet n GLY 87 N 1.00 0.98 3.95 0.56 0.00 -1.26 -5.02 105.19 105.40 2wet n GLY 87 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2wet n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wet s GLU 88 N -0.27 3.45 0.23 1.61 0.41 -1.12 -4.91 118.70 118.10 2wet s GLU 88 Ca 0.00 -0.60 -0.18 0.00 -0.41 0.00 0.00 54.97 53.78 2wet s GLU 88 Cb 0.00 -2.91 0.02 0.00 -1.78 0.00 0.00 34.13 29.46 2wet s GLU 88 CO 0.00 0.46 0.58 1.52 -0.49 0.00 0.00 175.26 177.32 2wet s TYR 89 N -1.86 -0.06 0.23 1.61 -0.85 -1.26 -1.08 117.35 114.09 2wet s TYR 89 Ca 0.35 -0.32 -0.14 0.00 -0.52 0.00 0.00 57.07 56.44 2wet s TYR 89 Cb -0.10 0.45 0.00 0.00 0.38 0.00 0.00 41.96 42.69 2wet s TYR 89 CO 0.29 -1.03 0.48 -0.59 -1.52 0.00 0.00 175.55 173.18 2wet s PHE 90 N -3.91 0.27 -0.06 -3.49 -0.12 -0.94 -5.00 117.98 104.72 2wet s PHE 90 Ca 0.12 -0.64 -0.01 0.00 -0.05 0.00 0.00 56.93 56.35 2wet s PHE 90 Cb -0.02 0.22 -0.03 0.00 -0.63 0.00 0.00 43.02 42.55 2wet s PHE 90 CO 0.02 -0.97 0.03 0.71 -0.05 0.00 0.00 175.22 174.96 2wet s TYR 91 N -3.99 3.20 -0.46 3.49 2.02 -1.26 -0.80 117.35 119.55 2wet s TYR 91 Ca 0.20 0.20 -0.08 0.00 -0.37 0.00 0.00 57.07 57.01 2wet s TYR 91 Cb -0.01 -1.77 0.11 0.00 -0.40 0.00 0.00 41.96 39.90 2wet s TYR 91 CO 0.07 0.50 0.32 -1.58 -1.57 0.00 0.00 175.55 173.29 2wet s HIS 92 N -0.99 3.44 0.30 2.71 5.65 0.14 -4.84 115.29 121.70 2wet s HIS 92 Ca 0.16 -1.91 0.01 0.00 0.25 0.00 0.00 55.06 53.57 2wet s HIS 92 Cb -0.12 -3.41 -0.03 0.00 -1.18 0.00 0.00 32.58 27.84 2wet s HIS 92 CO 0.06 -0.98 0.48 -1.25 -0.65 0.00 0.00 174.74 172.40 2wet s PRO 93 N 1.34 3.49 -1.03 2.88 0.04 -1.26 -0.24 135.00 140.21 2wet s PRO 93 Ca 0.06 -0.40 -0.18 0.00 0.04 0.00 0.00 61.00 60.51 2wet s PRO 93 Cb -0.25 -2.74 0.12 0.00 0.04 0.00 0.00 34.50 31.67 2wet s PRO 93 CO -0.01 0.25 1.28 -0.06 0.04 0.00 0.00 177.00 178.51 2wet s PHE 94 N -2.16 3.10 -0.28 0.56 0.08 -0.30 -4.92 117.98 114.06 2wet s PHE 94 Ca 0.39 -1.50 -0.16 0.00 0.12 0.00 0.00 56.93 55.79 2wet s PHE 94 Cb -0.10 -4.38 0.10 0.00 -0.57 0.00 0.00 43.02 38.07 2wet s PHE 94 CO 0.33 -1.55 0.76 -2.00 -0.10 0.00 0.00 175.22 172.66 2wet s GLU 95 N 2.87 0.61 0.32 0.44 2.12 -1.26 -3.31 118.70 120.49 2wet s GLU 95 Ca 0.38 1.10 -0.26 0.00 0.36 0.00 0.00 54.97 56.55 2wet s GLU 95 Cb -0.03 0.18 -0.10 0.00 0.26 0.00 0.00 34.13 34.44 2wet s GLU 95 CO -0.06 -0.14 0.94 1.03 -0.54 0.00 0.00 175.26 176.49 2wet s ARG 96 N 1.67 4.57 0.29 4.30 0.52 -1.06 -4.98 118.95 124.25 2wet s ARG 96 Ca -0.09 1.31 -0.29 0.00 -0.52 0.00 0.00 55.73 56.13 2wet s ARG 96 Cb -0.05 -2.80 -0.10 0.00 0.52 0.00 0.00 34.95 32.53 2wet s ARG 96 CO -0.19 0.28 1.13 -0.51 0.02 0.00 0.00 175.30 176.03 2wet s LEU 97 N -2.06 4.54 0.69 2.53 1.43 -1.26 -5.03 118.68 119.51 2wet s LEU 97 Ca 0.50 2.33 -0.12 0.00 -1.03 0.00 0.00 54.13 55.80 2wet s LEU 97 Cb -0.18 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.41 2wet s LEU 97 CO 0.23 -0.20 1.07 -0.13 0.23 0.00 0.00 176.35 177.56 2wet s ARG 98 N -1.48 2.84 -0.09 1.70 0.52 -1.26 -4.87 118.95 116.32 2wet s ARG 98 Ca 0.45 1.12 0.03 0.00 -0.52 0.00 0.00 55.73 56.81 2wet s ARG 98 Cb -0.33 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.17 2wet s ARG 98 CO 0.43 -1.18 -0.20 0.08 0.02 0.00 0.00 175.30 174.45 2wet s VAL 99 N -2.79 1.71 -0.11 3.52 1.01 -1.26 -1.57 120.40 120.92 2wet s VAL 99 Ca 0.61 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.79 2wet s VAL 99 Cb -0.16 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.74 2wet s VAL 99 CO 0.49 0.48 -0.13 -0.69 0.00 0.00 0.00 175.10 175.25 2wet s VAL 100 N 0.46 1.37 -1.65 2.92 1.01 0.04 -4.79 120.40 119.76 2wet s VAL 100 Ca -0.17 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 2wet s VAL 100 Cb -0.17 -1.27 0.13 0.00 0.00 0.00 0.00 36.38 35.07 2wet s VAL 100 CO 0.07 0.42 0.73 0.47 0.00 0.00 0.00 175.10 176.78 2wet n ASP 101 N 4.31 -2.86 0.00 3.32 10.43 -1.26 -1.45 116.55 129.05 2wet n ASP 101 Ca -0.18 -1.00 0.00 0.00 2.57 0.00 0.00 54.79 56.17 2wet n ASP 101 Cb 0.51 -2.84 0.00 0.00 1.84 0.00 0.00 41.12 40.63 2wet n ASP 101 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wet n GLY 102 N -1.53 1.48 3.33 0.44 0.00 -1.26 -5.04 105.19 102.61 2wet n GLY 102 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2wet n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wet s PHE 103 N -2.59 2.48 1.04 1.61 0.40 -0.53 -5.11 117.98 115.28 2wet s PHE 103 Ca 0.00 -0.52 -0.13 0.00 -0.60 0.00 0.00 56.93 55.68 2wet s PHE 103 Cb 0.00 -1.59 0.21 0.00 0.51 0.00 0.00 43.02 42.15 2wet s PHE 103 CO 0.00 -0.08 1.09 0.54 0.70 0.00 0.00 175.22 177.47 2wet s ASN 104 N -0.38 2.28 0.48 1.36 2.20 -1.26 -0.78 114.94 118.85 2wet s ASN 104 Ca 0.03 1.13 0.28 0.00 -0.94 0.00 0.00 52.86 53.36 2wet s ASN 104 Cb -0.12 -1.76 0.99 0.00 -2.00 0.00 0.00 41.25 38.35 2wet s ASN 104 CO 0.02 -3.34 1.85 0.24 -2.94 0.00 0.00 177.10 172.93 2wet h MET 105 N -2.03 0.00 -0.07 3.55 2.86 -1.62 -2.55 114.93 115.06 2wet h MET 105 Ca -0.55 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.09 2wet h MET 105 Cb 1.33 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.99 2wet h MET 105 CO 0.56 0.10 0.02 0.00 1.06 0.00 0.00 176.91 178.64 2wet h ALA 106 N 1.90 0.09 -0.43 6.32 0.00 -1.91 0.21 119.26 125.45 2wet h ALA 106 Ca -0.00 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2wet h ALA 106 Cb 0.71 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2wet h ALA 106 CO 0.01 -0.29 0.15 0.93 0.00 0.00 0.00 179.25 180.06 2wet h GLU 107 N -0.10 0.31 -0.74 0.00 4.39 -1.82 -1.98 114.58 114.64 2wet h GLU 107 Ca 0.02 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2wet h GLU 107 Cb 0.24 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 2wet h GLU 107 CO 0.00 0.20 0.22 -1.49 -1.16 0.00 0.00 179.01 176.78 2wet h TRP 108 N 0.32 1.21 -0.59 4.33 4.06 -1.40 -2.65 115.95 121.23 2wet h TRP 108 Ca 0.20 -0.13 0.09 0.00 2.06 0.00 0.00 58.89 61.11 2wet h TRP 108 Cb 0.19 -0.35 -0.07 0.00 -1.00 0.00 0.00 29.16 27.93 2wet h TRP 108 CO -0.15 0.96 0.21 2.35 -3.56 0.00 0.00 178.44 178.25 2wet h TRP 109 N 1.11 0.36 -0.38 0.49 7.01 -0.06 0.26 115.95 124.75 2wet h TRP 109 Ca 0.24 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.25 2wet h TRP 109 Cb 0.33 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.30 2wet h TRP 109 CO 0.03 0.08 0.14 -0.07 -2.79 0.00 0.00 178.44 175.83 2wet h LEU 110 N 0.38 0.48 0.15 0.65 3.38 -1.15 -0.48 115.31 118.72 2wet h LEU 110 Ca 0.30 -0.05 -0.30 0.00 0.09 0.00 0.00 57.88 57.92 2wet h LEU 110 Cb 0.38 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2wet h LEU 110 CO -0.31 0.45 -1.50 0.00 0.09 0.00 0.00 178.44 177.16 2wet h ALA 111 N 1.63 0.14 0.00 1.53 0.00 -0.86 -3.42 119.26 118.27 2wet h ALA 111 Ca 0.13 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.97 2wet h ALA 111 Cb 0.12 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2wet h ALA 111 CO -0.01 0.86 0.00 1.33 0.00 0.00 0.00 179.25 181.43 2wet n VAL 112 N -3.81 0.00 -0.00 0.00 0.24 0.80 -5.06 118.33 110.50 2wet n VAL 112 Ca -0.24 -0.27 -0.00 0.00 -2.04 0.00 0.00 64.34 61.79 2wet n VAL 112 Cb 0.97 1.33 0.00 0.00 -1.47 0.00 0.00 33.84 34.67 2wet n VAL 112 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wet n GLY 113 N 0.16 -3.73 1.09 7.63 0.00 -0.19 -5.00 105.19 105.15 2wet n GLY 113 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 2wet n GLY 113 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2wet n THR 117 N -3.04 -5.26 -1.62 2.61 5.66 -1.26 -5.10 114.28 106.28 2wet n THR 117 Ca 0.00 0.94 -0.29 0.00 -3.05 0.00 0.00 64.05 61.65 2wet n THR 117 Cb 0.01 -3.31 0.11 0.00 -1.55 0.00 0.00 70.33 65.59 2wet n THR 117 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2wet s SER 118 N -0.15 4.14 0.07 1.09 1.04 -1.26 -4.81 113.70 113.82 2wet s SER 118 Ca 0.00 1.08 -0.35 0.00 0.48 0.00 0.00 55.95 57.16 2wet s SER 118 Cb 0.00 -1.72 -0.19 0.00 0.10 0.00 0.00 66.02 64.21 2wet s SER 118 CO 0.00 -2.16 1.60 0.15 0.98 0.00 0.00 173.24 173.80 2wet h PHE 119 N -1.23 -1.08 -0.83 5.02 3.57 -1.99 -0.97 116.94 119.42 2wet h PHE 119 Ca -0.48 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.09 2wet h PHE 119 Cb 1.30 0.37 -0.07 0.00 2.79 0.00 0.00 35.95 40.34 2wet h PHE 119 CO 0.37 -0.64 0.48 0.66 -2.23 0.00 0.00 178.31 176.95 2wet h SER 120 N -1.08 0.69 -0.75 0.41 4.64 -1.94 -1.35 113.55 114.17 2wet h SER 120 Ca -0.10 0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.21 2wet h SER 120 Cb 0.85 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.82 2wet h SER 120 CO 0.14 0.40 0.24 -0.08 -0.87 0.00 0.00 176.83 176.66 2wet h GLU 121 N 0.81 1.15 -0.09 4.77 4.81 -1.81 -1.43 114.58 122.80 2wet h GLU 121 Ca 0.40 -0.24 -0.18 0.00 -0.13 0.00 0.00 59.36 59.20 2wet h GLU 121 Cb 0.35 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 2wet h GLU 121 CO -0.24 0.98 -0.72 0.00 -0.73 0.00 0.00 179.01 178.30 2wet h ALA 122 N 1.12 0.59 0.00 2.92 0.00 -0.73 -3.38 119.26 119.78 2wet h ALA 122 Ca 0.24 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2wet h ALA 122 Cb 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2wet h ALA 122 CO -0.01 0.75 -1.81 0.00 0.00 0.00 0.00 179.25 178.18 2wet s TYR 124 N -3.46 1.90 0.21 0.00 2.02 -0.55 -4.79 117.35 112.67 2wet s TYR 124 Ca -0.06 -0.92 -0.09 0.00 -0.37 0.00 0.00 57.07 55.63 2wet s TYR 124 Cb 0.14 -1.40 0.28 0.00 -0.40 0.00 0.00 41.96 40.58 2wet s TYR 124 CO 0.89 -0.50 1.77 -0.07 -1.57 0.00 0.00 175.55 176.07 2wet h LEU 125 N 7.60 0.40 -1.73 -1.29 3.38 -1.90 -2.57 115.31 119.21 2wet h LEU 125 Ca -0.32 0.06 0.35 0.00 0.09 0.00 0.00 57.88 58.05 2wet h LEU 125 Cb 1.16 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.83 2wet h LEU 125 CO 0.48 0.24 0.84 0.74 0.09 0.00 0.00 178.44 180.83 2wet h THR 126 N 0.55 0.38 -0.45 0.22 2.02 -1.94 -0.43 112.91 113.26 2wet h THR 126 Ca 0.31 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.48 2wet h THR 126 Cb 0.31 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 2wet h THR 126 CO -0.25 0.02 0.23 -0.74 0.37 0.00 0.00 175.52 175.16 2wet h HIS 127 N 0.13 0.43 -0.51 3.16 -0.00 -1.73 -0.21 115.15 116.42 2wet h HIS 127 Ca 0.63 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.94 2wet h HIS 127 Cb 2.17 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 29.44 2wet h HIS 127 CO -0.00 0.22 -0.01 0.00 -0.00 0.00 0.00 177.93 178.14 2wet h ARG 128 N 0.47 0.91 -0.69 5.26 2.47 -1.24 -1.80 114.38 119.76 2wet h ARG 128 Ca 0.19 -0.29 -0.03 0.00 -1.26 0.00 0.00 59.98 58.59 2wet h ARG 128 Cb 0.09 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.30 2wet h ARG 128 CO -0.13 0.94 0.32 -0.07 0.56 0.00 0.00 179.97 181.59 2wet h LEU 129 N 0.78 0.89 -0.18 3.04 4.07 -1.23 -0.37 115.31 122.31 2wet h LEU 129 Ca 0.14 -0.10 -0.05 0.00 0.08 0.00 0.00 57.88 57.96 2wet h LEU 129 Cb 0.53 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 42.04 2wet h LEU 129 CO 0.03 0.76 -0.08 0.00 -1.08 0.00 0.00 178.44 178.07 2wet h GLU 131 N 0.05 1.03 -0.20 0.00 4.39 -0.81 -2.21 114.58 116.82 2wet h GLU 131 Ca 0.04 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2wet h GLU 131 Cb 0.56 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2wet h GLU 131 CO 0.03 0.74 0.00 0.00 -1.16 0.00 0.00 179.01 178.61 2wet n ALA 132 N -2.42 2.49 -3.70 3.43 0.00 -0.19 -4.96 120.51 115.15 2wet n ALA 132 Ca 0.08 -0.69 -0.26 0.00 0.00 0.00 0.00 53.44 52.57 2wet n ALA 132 Cb 0.08 -0.99 0.06 0.00 0.00 0.00 0.00 19.45 18.60 2wet n ALA 132 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wet n LYS 133 N 0.82 -7.09 -2.40 0.00 5.02 -0.39 -4.94 118.16 109.19 2wet n LYS 133 Ca 0.17 0.75 -0.32 0.00 -2.02 0.00 0.00 58.31 56.89 2wet n LYS 133 Cb 0.46 -5.74 -0.03 0.00 -0.02 0.00 0.00 35.03 29.69 2wet n LYS 133 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wet s ARG 134 N -6.37 3.92 0.50 1.97 1.81 0.37 -0.96 118.95 120.19 2wet s ARG 134 Ca 0.58 0.91 -0.16 0.00 -1.72 0.00 0.00 55.73 55.34 2wet s ARG 134 Cb -0.27 -2.15 -0.08 0.00 -0.45 0.00 0.00 34.95 32.01 2wet s ARG 134 CO 0.76 -0.27 0.96 0.00 -0.68 0.00 0.00 175.30 176.08 2wet s ALA 135 N -2.64 3.10 -2.00 2.13 0.00 -0.61 -4.20 121.76 117.54 2wet s ALA 135 Ca 0.58 0.14 0.17 0.00 0.00 0.00 0.00 51.96 52.85 2wet s ALA 135 Cb -0.10 -3.07 1.03 0.00 0.00 0.00 0.00 23.12 20.97 2wet s ALA 135 CO 0.32 -0.21 1.66 -0.35 0.00 0.00 0.00 175.76 177.19 2wet n PRO 136 N -1.55 1.00 -4.26 0.00 -0.04 -1.26 -4.77 135.00 124.12 2wet n PRO 136 Ca 0.06 -0.01 -0.21 0.00 -0.04 0.00 0.00 63.50 63.31 2wet n PRO 136 Cb 0.54 -1.27 -0.12 0.00 -0.04 0.00 0.00 33.50 32.61 2wet n PRO 136 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2wet s ARG 137 N -2.00 0.96 0.78 0.54 0.52 -1.26 -1.77 118.95 116.71 2wet s ARG 137 Ca 0.26 -0.98 -0.11 0.00 -0.52 0.00 0.00 55.73 54.38 2wet s ARG 137 Cb 0.12 -1.05 0.06 0.00 0.52 0.00 0.00 34.95 34.60 2wet s ARG 137 CO 0.20 0.24 1.08 -1.64 0.02 0.00 0.00 175.30 175.21 2wet s MET 138 N -1.64 2.26 0.51 3.54 -1.94 -0.62 -4.37 119.30 117.04 2wet s MET 138 Ca 0.02 0.82 0.18 0.00 -1.71 0.00 0.00 55.69 55.00 2wet s MET 138 Cb -0.10 -1.92 1.28 0.00 2.01 0.00 0.00 34.83 36.10 2wet s MET 138 CO 0.03 -1.54 2.09 -0.07 -0.01 0.00 0.00 175.02 175.51 2wet h LEU 139 N -1.04 0.04 0.00 -0.03 3.38 -1.91 0.14 115.31 115.89 2wet h LEU 139 Ca -0.46 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2wet h LEU 139 Cb 1.25 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2wet h LEU 139 CO 0.57 0.03 0.00 -0.90 0.09 0.00 0.00 178.44 178.23 2wet n ASP 140 N -4.48 0.00 0.00 -0.43 5.68 -1.26 -4.87 116.55 111.19 2wet n ASP 140 Ca 0.02 -1.11 0.00 0.00 -0.50 0.00 0.00 54.79 53.19 2wet n ASP 140 Cb 0.26 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 2wet n ASP 140 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wet n GLY 141 N 0.67 0.86 3.77 6.12 0.00 0.47 -5.04 105.19 112.04 2wet n GLY 141 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2wet n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wet s SER 142 N -3.00 7.16 0.38 1.61 1.04 -1.26 -4.80 113.70 114.84 2wet s SER 142 Ca 0.00 2.11 -0.26 0.00 0.48 0.00 0.00 55.95 58.28 2wet s SER 142 Cb 0.00 -2.61 -0.09 0.00 0.10 0.00 0.00 66.02 63.43 2wet s SER 142 CO 0.00 -0.20 1.20 -0.22 0.98 0.00 0.00 173.24 175.00 2wet s LEU 143 N -1.85 4.25 0.34 2.42 2.96 -1.26 -1.59 118.68 123.95 2wet s LEU 143 Ca 0.49 2.43 0.03 0.00 -0.22 0.00 0.00 54.13 56.86 2wet s LEU 143 Cb -0.27 -3.93 0.61 0.00 0.50 0.00 0.00 46.19 43.11 2wet s LEU 143 CO 0.34 -0.64 1.92 2.19 -1.32 0.00 0.00 176.35 178.83 2wet h PHE 144 N 2.83 0.65 -1.03 5.38 -0.00 -1.72 -1.29 116.94 121.75 2wet h PHE 144 Ca -0.49 -0.03 0.27 0.00 -0.00 0.00 0.00 57.97 57.72 2wet h PHE 144 Cb 1.23 -0.20 -0.12 0.00 -0.00 0.00 0.00 35.95 36.86 2wet h PHE 144 CO 0.55 0.53 0.62 0.00 -0.00 0.00 0.00 178.31 180.01 2wet h ALA 145 N 1.53 1.96 -0.03 12.09 0.00 -1.90 -3.51 119.26 129.40 2wet h ALA 145 Ca 0.15 0.12 -0.54 0.00 0.00 0.00 0.00 54.91 54.65 2wet h ALA 145 Cb 0.17 0.05 0.10 0.00 0.00 0.00 0.00 17.79 18.12 2wet h ALA 145 CO -0.01 -0.46 1.45 0.45 0.00 0.00 0.00 179.25 180.68 2wet n SER 146 N -4.85 1.47 0.00 0.00 2.88 -0.49 -5.11 113.62 107.52 2wet n SER 146 Ca 0.28 -2.55 0.00 0.00 -1.33 0.00 0.00 58.87 55.27 2wet n SER 146 Cb 0.85 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 2wet n SER 146 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2wet n GLU 159 N 7.79 0.00 0.12 -1.46 4.07 -1.26 -5.10 120.64 124.81 2wet n GLU 159 Ca 0.47 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.70 2wet n GLU 159 Cb 0.42 0.00 0.43 0.00 -0.06 0.00 0.00 31.44 32.23 2wet n GLU 159 CO 0.00 0.00 0.00 -0.56 -0.06 0.00 0.00 177.13 176.51 2wet h GLN 160 N 0.00 0.00 -0.03 5.31 3.07 -2.01 -3.26 115.11 118.20 2wet h GLN 160 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.64 2wet h GLN 160 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 2wet h GLN 160 CO 0.00 0.00 -0.46 -0.09 0.09 0.00 0.00 178.83 178.37 2wet h ARG 161 N 0.00 0.06 -0.01 0.06 9.65 -2.02 -3.11 114.38 119.00 2wet h ARG 161 Ca 0.00 -0.03 -0.16 0.00 -1.10 0.00 0.00 59.98 58.69 2wet h ARG 161 Cb 0.63 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.19 2wet h ARG 161 CO 0.00 0.50 -0.73 0.00 2.80 0.00 0.00 179.97 182.55 2wet h ALA 162 N 1.49 0.77 -0.05 2.80 0.00 -1.99 -2.77 119.26 119.51 2wet h ALA 162 Ca 0.00 -0.64 -0.14 0.00 0.00 0.00 0.00 54.91 54.13 2wet h ALA 162 Cb 0.83 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2wet h ALA 162 CO 0.06 0.87 -0.60 0.37 0.00 0.00 0.00 179.25 179.95 2wet h GLN 163 N 0.05 0.17 -2.31 0.00 5.75 -1.68 -3.30 115.11 113.79 2wet h GLN 163 Ca -0.01 -0.12 -0.59 0.00 -0.15 0.00 0.00 58.65 57.78 2wet h GLN 163 Cb 1.28 0.02 -0.40 0.00 1.07 0.00 0.00 27.48 29.45 2wet h GLN 163 CO 0.10 0.72 -0.83 1.19 -2.65 0.00 0.00 178.83 177.36 2wet n PHE 164 N -3.86 1.46 -1.10 3.99 3.72 -1.21 -2.56 117.46 117.89 2wet n PHE 164 Ca -0.02 -3.84 -0.33 0.00 -0.05 0.00 0.00 57.45 53.21 2wet n PHE 164 Cb 0.61 -0.36 -0.02 0.00 -0.94 0.00 0.00 39.48 38.77 2wet n PHE 164 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2wet n PRO 165 N 1.57 2.86 -1.68 -1.08 -0.04 -1.05 -4.85 135.00 130.74 2wet n PRO 165 Ca 0.25 -1.91 -0.38 0.00 -0.04 0.00 0.00 63.50 61.42 2wet n PRO 165 Cb 0.45 -2.71 0.06 0.00 -0.04 0.00 0.00 33.50 31.26 2wet n PRO 165 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2wet n TYR 166 N 4.26 1.51 -1.70 0.54 4.11 -1.26 -4.43 117.16 120.19 2wet n TYR 166 Ca 0.61 0.43 0.00 0.00 -0.00 0.00 0.00 57.90 58.94 2wet n TYR 166 Cb 0.21 -2.23 0.00 0.00 -0.00 0.00 0.00 39.34 37.33 2wet n TYR 166 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2wet n ALA 167 N -1.70 0.00 -2.54 -3.48 0.00 -0.14 -4.83 120.51 107.82 2wet n ALA 167 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 2wet n ALA 167 Cb 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.84 2wet n ALA 167 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2wet s TYR 168 N 2.30 0.23 -0.00 0.00 1.51 -1.26 -0.92 117.35 119.20 2wet s TYR 168 Ca 0.00 -0.63 0.03 0.00 -1.01 0.00 0.00 57.07 55.46 2wet s TYR 168 Cb 0.00 -0.15 -0.03 0.00 -0.11 0.00 0.00 41.96 41.67 2wet s TYR 168 CO 0.00 -0.45 -0.07 -1.01 -1.11 0.00 0.00 175.55 172.92 2wet s HIS 169 N -3.38 2.89 0.20 2.71 3.76 -0.51 -1.12 115.29 119.84 2wet s HIS 169 Ca 0.02 -0.03 -0.12 0.00 -0.15 0.00 0.00 55.06 54.77 2wet s HIS 169 Cb 0.03 -1.62 0.00 0.00 1.11 0.00 0.00 32.58 32.11 2wet s HIS 169 CO -0.08 0.37 0.40 -0.59 -0.85 0.00 0.00 174.74 173.99 2wet s PHE 170 N -0.98 0.26 -0.01 1.40 -0.00 0.03 -0.34 117.98 118.34 2wet s PHE 170 Ca 0.17 -0.62 -0.30 0.00 -0.00 0.00 0.00 56.93 56.18 2wet s PHE 170 Cb -0.11 0.13 -0.03 0.00 -0.00 0.00 0.00 43.02 43.00 2wet s PHE 170 CO 0.07 -0.85 1.06 0.34 -0.00 0.00 0.00 175.22 175.84 2wet s ASP 171 N -2.96 7.24 0.17 1.98 -1.08 -0.59 -4.45 116.67 116.97 2wet s ASP 171 Ca 0.17 1.75 -0.10 0.00 -0.52 0.00 0.00 52.55 53.85 2wet s ASP 171 Cb 0.01 -2.57 0.05 0.00 -1.46 0.00 0.00 42.92 38.95 2wet s ASP 171 CO 0.02 -0.38 1.62 0.00 0.52 0.00 0.00 175.17 176.95 2wet h ALA 172 N 6.92 0.78 -0.35 3.66 0.00 -1.88 -1.63 119.26 126.77 2wet h ALA 172 Ca -0.39 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.23 2wet h ALA 172 Cb 1.20 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2wet h ALA 172 CO 0.80 0.62 0.17 -0.44 0.00 0.00 0.00 179.25 180.40 2wet h ASP 173 N 0.91 0.26 -0.27 0.00 3.32 -1.93 -3.08 116.42 115.63 2wet h ASP 173 Ca 0.16 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 2wet h ASP 173 Cb 0.57 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 2wet h ASP 173 CO 0.03 0.19 -0.20 -0.33 -1.72 0.00 0.00 179.24 177.21 2wet h GLU 174 N 0.36 0.62 -0.72 3.56 4.39 -1.80 -2.30 114.58 118.70 2wet h GLU 174 Ca 0.14 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 59.55 2wet h GLU 174 Cb 0.05 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 2wet h GLU 174 CO -0.10 0.90 0.47 -0.24 -1.16 0.00 0.00 179.01 178.88 2wet h VAL 175 N 0.36 1.17 -0.57 3.13 3.04 -1.38 0.46 116.25 122.45 2wet h VAL 175 Ca 0.05 -0.33 -0.00 0.00 -1.01 0.00 0.00 66.70 65.41 2wet h VAL 175 Cb 0.75 0.13 -0.03 0.00 -2.01 0.00 0.00 31.29 30.13 2wet h VAL 175 CO 0.05 0.17 0.34 0.00 -1.01 0.00 0.00 177.57 177.13 2wet h ALA 176 N 1.27 0.73 -0.34 3.17 0.00 -1.49 -0.47 119.26 122.14 2wet h ALA 176 Ca 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2wet h ALA 176 Cb -0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2wet h ALA 176 CO -0.07 0.22 0.18 -0.09 0.00 0.00 0.00 179.25 179.49 2wet h ARG 177 N 0.77 0.47 0.03 0.00 2.43 -0.81 -0.47 114.38 116.81 2wet h ARG 177 Ca 0.21 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2wet h ARG 177 Cb -0.01 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 2wet h ARG 177 CO -0.04 0.40 -0.02 -0.92 -1.51 0.00 0.00 179.97 177.89 2wet h TYR 178 N 0.42 -0.04 -0.42 2.20 3.20 0.09 -2.80 116.97 119.62 2wet h TYR 178 Ca 0.12 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 2wet h TYR 178 Cb 0.07 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 2wet h TYR 178 CO -0.03 0.19 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.58 2wet h LEU 179 N -0.27 0.67 -1.45 2.82 3.38 -1.08 -1.66 115.31 117.73 2wet h LEU 179 Ca -0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2wet h LEU 179 Cb 0.25 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2wet h LEU 179 CO 0.01 0.76 0.33 0.77 0.09 0.00 0.00 178.44 180.40 2wet h SER 180 N 0.65 0.61 -0.35 -0.43 4.64 -1.06 0.63 113.55 118.25 2wet h SER 180 Ca 0.13 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.28 2wet h SER 180 Cb 0.45 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 2wet h SER 180 CO 0.02 0.46 -0.35 -0.08 -0.87 0.00 0.00 176.83 176.01 2wet h GLU 181 N 0.72 0.85 0.03 4.77 4.81 -1.18 -0.29 114.58 124.29 2wet h GLU 181 Ca 0.19 -0.45 0.01 0.00 -0.13 0.00 0.00 59.36 58.98 2wet h GLU 181 Cb -0.05 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2wet h GLU 181 CO -0.04 1.09 -0.11 -0.92 -0.73 0.00 0.00 179.01 178.31 2wet h TYR 182 N 0.65 -0.27 -0.24 0.92 3.20 -0.69 0.06 116.97 120.60 2wet h TYR 182 Ca 0.06 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 2wet h TYR 182 Cb 0.94 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 2wet h TYR 182 CO 0.07 -0.16 0.09 0.00 -1.64 0.00 0.00 178.16 176.52 2wet h ALA 183 N 0.75 0.31 -0.59 1.82 0.00 -0.86 -2.94 119.26 117.76 2wet h ALA 183 Ca 0.03 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2wet h ALA 183 Cb 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2wet h ALA 183 CO -0.09 -0.08 0.09 0.82 0.00 0.00 0.00 179.25 179.99 2wet h ILE 184 N 0.23 1.25 0.00 0.00 2.04 -1.00 -1.39 117.51 118.63 2wet h ILE 184 Ca 0.08 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 2wet h ILE 184 Cb 0.20 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2wet h ILE 184 CO -0.01 0.36 -0.02 0.00 0.00 0.00 0.00 178.15 178.48 2wet h ALA 185 N 1.19 1.17 -0.66 1.87 0.00 -0.89 -2.07 119.26 119.87 2wet h ALA 185 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2wet h ALA 185 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2wet h ALA 185 CO 0.01 0.02 0.00 0.54 0.00 0.00 0.00 179.25 179.83 2wet n ARG 186 N -3.35 2.74 0.00 0.00 1.74 -0.57 -4.95 116.66 112.28 2wet n ARG 186 Ca -0.02 -2.55 0.00 0.00 -0.77 0.00 0.00 57.85 54.50 2wet n ARG 186 Cb 0.13 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 2wet n ARG 186 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wet n GLY 187 N 1.46 0.97 3.69 -0.13 0.00 -0.78 -4.98 105.19 105.41 2wet n GLY 187 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2wet n GLY 187 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wet s VAL 188 N -2.00 3.04 -0.00 1.61 1.01 -0.96 -4.73 120.40 118.37 2wet s VAL 188 Ca 0.00 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.12 2wet s VAL 188 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2wet s VAL 188 CO 0.00 -0.01 1.13 -0.60 0.00 0.00 0.00 175.10 175.63 2wet s ARG 189 N 2.85 4.44 -0.16 2.72 3.52 -0.21 -4.53 118.95 127.57 2wet s ARG 189 Ca 0.75 1.63 -0.03 0.00 -0.13 0.00 0.00 55.73 57.95 2wet s ARG 189 Cb -0.40 -3.45 -0.02 0.00 -1.56 0.00 0.00 34.95 29.52 2wet s ARG 189 CO 0.33 -0.27 -0.05 -1.58 -0.81 0.00 0.00 175.30 172.91 2wet s HIS 190 N 1.48 2.98 -0.10 5.12 5.65 -1.26 -0.26 115.29 128.90 2wet s HIS 190 Ca 0.55 -0.42 0.02 0.00 0.25 0.00 0.00 55.06 55.46 2wet s HIS 190 Cb -0.25 -1.96 0.01 0.00 -1.18 0.00 0.00 32.58 29.21 2wet s HIS 190 CO 0.26 -0.12 -0.15 0.08 -0.65 0.00 0.00 174.74 174.16 2wet s VAL 191 N 0.49 1.43 -0.45 0.89 1.01 0.28 -4.96 120.40 119.08 2wet s VAL 191 Ca -0.04 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 2wet s VAL 191 Cb -0.15 -1.31 0.08 0.00 0.00 0.00 0.00 36.38 35.01 2wet s VAL 191 CO 0.03 0.43 0.33 -0.69 0.00 0.00 0.00 175.10 175.19 2wet s VAL 192 N 0.93 4.61 0.05 2.92 1.01 -1.26 -1.21 120.40 127.46 2wet s VAL 192 Ca -0.08 -1.33 -0.28 0.00 0.00 0.00 0.00 61.98 60.30 2wet s VAL 192 Cb -0.15 -3.82 0.09 0.00 0.00 0.00 0.00 36.38 32.49 2wet s VAL 192 CO -0.00 -0.57 0.96 -0.62 0.00 0.00 0.00 175.10 174.86 2wet s ASP 193 N 2.41 -0.25 -0.13 3.32 -1.08 -0.34 -4.80 116.67 115.80 2wet s ASP 193 Ca 0.04 -0.18 -0.14 0.00 -0.52 0.00 0.00 52.55 51.74 2wet s ASP 193 Cb -0.24 0.40 -0.05 0.00 -1.46 0.00 0.00 42.92 41.58 2wet s ASP 193 CO 0.03 -0.70 0.32 -1.81 0.52 0.00 0.00 175.17 173.53 2wet s ASP 194 N -2.70 6.52 -0.15 -0.34 1.01 -1.26 -2.68 116.67 117.07 2wet s ASP 194 Ca 0.09 0.61 -0.29 0.00 0.71 0.00 0.00 52.55 53.66 2wet s ASP 194 Cb -0.01 -2.20 -0.01 0.00 1.01 0.00 0.00 42.92 41.71 2wet s ASP 194 CO -0.04 0.14 1.18 -0.69 0.21 0.00 0.00 175.17 175.98 2wet s VAL 195 N 0.17 4.39 -0.14 -1.27 1.01 -1.26 -1.51 120.40 121.78 2wet s VAL 195 Ca 0.19 1.69 0.17 0.00 0.00 0.00 0.00 61.98 64.02 2wet s VAL 195 Cb -0.14 -4.09 -0.24 0.00 0.00 0.00 0.00 36.38 31.91 2wet s VAL 195 CO 0.06 -0.10 0.30 0.00 0.00 0.00 0.00 175.10 175.36 2wet n GLN 196 N 6.07 0.67 -3.77 2.72 6.02 0.92 -4.98 117.38 125.03 2wet n GLN 196 Ca 0.12 0.09 -0.11 0.00 -0.01 0.00 0.00 57.00 57.09 2wet n GLN 196 Cb 0.46 -1.62 -0.07 0.00 1.02 0.00 0.00 30.24 30.03 2wet n GLN 196 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2wet s HIS 197 N -2.59 -0.04 -0.19 1.08 3.76 -1.18 -5.02 115.29 111.11 2wet s HIS 197 Ca -0.08 -0.21 0.01 0.00 -0.15 0.00 0.00 55.06 54.64 2wet s HIS 197 Cb 0.07 0.07 0.03 0.00 1.11 0.00 0.00 32.58 33.86 2wet s HIS 197 CO 0.83 -0.53 -0.15 0.08 -0.85 0.00 0.00 174.74 174.11 2wet s VAL 198 N -3.06 1.91 0.50 -0.90 1.01 -1.26 -0.89 120.40 117.70 2wet s VAL 198 Ca -0.01 -1.02 -0.20 0.00 0.00 0.00 0.00 61.98 60.75 2wet s VAL 198 Cb 0.01 -1.84 -0.08 0.00 0.00 0.00 0.00 36.38 34.47 2wet s VAL 198 CO -0.07 0.35 1.04 -0.83 0.00 0.00 0.00 175.10 175.59 2wet s GLY 199 N 1.31 2.45 -0.01 4.51 0.00 0.73 -4.99 107.32 111.33 2wet s GLY 199 Ca 0.01 0.57 0.02 0.00 0.00 0.00 0.00 44.72 45.32 2wet s GLY 199 CO -0.10 0.88 -0.06 1.20 0.00 0.00 0.00 173.10 175.02 2wet s GLN 200 N -3.35 0.50 0.23 2.90 -0.21 -1.26 -1.71 119.66 116.76 2wet s GLN 200 Ca 0.66 -0.19 -0.04 0.00 0.02 0.00 0.00 55.36 55.81 2wet s GLN 200 Cb -0.16 -0.49 0.05 0.00 1.00 0.00 0.00 33.01 33.42 2wet s GLN 200 CO 0.22 0.10 0.31 -0.40 -2.12 0.00 0.00 175.29 173.40 2wet n ASP 201 N 3.05 -0.03 0.03 5.90 5.68 0.70 -4.83 116.55 127.06 2wet n ASP 201 Ca -0.14 -1.10 0.09 0.00 -0.50 0.00 0.00 54.79 53.14 2wet n ASP 201 Cb 0.57 -0.24 0.38 0.00 -1.14 0.00 0.00 41.12 40.70 2wet n ASP 201 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2wet n GLU 202 N -1.68 0.05 -0.04 0.11 0.28 -1.26 -1.81 120.64 116.28 2wet n GLU 202 Ca 0.04 0.27 0.11 0.00 -0.16 0.00 0.00 57.16 57.42 2wet n GLU 202 Cb 0.14 -1.60 0.12 0.00 1.43 0.00 0.00 31.44 31.53 2wet n GLU 202 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2wet n ARG 203 N -1.70 2.24 -0.40 3.44 1.74 -1.26 -4.95 116.66 115.77 2wet n ARG 203 Ca 0.04 -1.95 0.00 0.00 -0.77 0.00 0.00 57.85 55.16 2wet n ARG 203 Cb 0.21 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 2wet n ARG 203 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wet n GLY 204 N 1.32 0.85 3.77 -0.13 0.00 -0.75 -5.04 105.19 105.21 2wet n GLY 204 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2wet n GLY 204 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wet s TRP 205 N -2.88 3.10 0.07 1.61 0.52 -1.26 -4.76 118.94 115.34 2wet s TRP 205 Ca 0.00 1.58 -0.31 0.00 0.02 0.00 0.00 56.10 57.40 2wet s TRP 205 Cb 0.00 -3.30 -0.07 0.00 -1.15 0.00 0.00 33.47 28.96 2wet s TRP 205 CO 0.00 -1.10 1.33 0.42 0.02 0.00 0.00 176.95 177.62 2wet s ILE 206 N -1.52 3.62 -0.14 2.03 1.01 -1.26 -0.21 121.20 124.72 2wet s ILE 206 Ca 0.59 1.13 0.19 0.00 0.00 0.00 0.00 60.65 62.56 2wet s ILE 206 Cb -0.27 -3.73 -0.27 0.00 0.01 0.00 0.00 42.46 38.20 2wet s ILE 206 CO 0.34 0.07 0.26 -1.54 0.00 0.00 0.00 174.94 174.06 2wet n SER 207 N 4.27 0.07 0.00 3.58 3.41 -0.69 -4.82 113.62 119.43 2wet n SER 207 Ca 0.11 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2wet n SER 207 Cb 0.44 1.25 0.00 0.00 -0.26 0.00 0.00 64.21 65.63 2wet n SER 207 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wet n GLY 208 N 1.57 0.81 3.36 5.00 0.00 -1.25 -4.29 105.19 110.38 2wet n GLY 208 Ca -0.22 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 2wet n GLY 208 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wet s VAL 209 N -2.00 2.93 -0.26 1.61 -7.23 -0.17 -0.19 120.40 115.08 2wet s VAL 209 Ca 0.00 -0.71 -0.12 0.00 -1.81 0.00 0.00 61.98 59.34 2wet s VAL 209 Cb 0.00 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 2wet s VAL 209 CO 0.00 0.53 0.22 -1.00 -0.31 0.00 0.00 175.10 174.54 2wet s HIS 210 N 0.30 3.26 0.24 2.82 3.76 -0.07 -0.67 115.29 124.93 2wet s HIS 210 Ca -0.11 0.22 0.06 0.00 -0.15 0.00 0.00 55.06 55.08 2wet s HIS 210 Cb -0.16 -2.39 -0.03 0.00 1.11 0.00 0.00 32.58 31.11 2wet s HIS 210 CO 0.06 -0.10 0.28 0.95 -0.85 0.00 0.00 174.74 175.08 2wet s THR 211 N 1.59 4.88 0.30 1.30 -4.23 -0.54 -0.05 115.64 118.89 2wet s THR 211 Ca 0.09 -1.16 -0.01 0.00 -1.18 0.00 0.00 61.69 59.43 2wet s THR 211 Cb -0.15 -3.63 0.23 0.00 1.34 0.00 0.00 72.50 70.28 2wet s THR 211 CO 0.09 -0.32 1.93 0.50 -0.54 0.00 0.00 174.62 176.28 2wet h LYS 212 N 1.41 0.98 0.00 3.99 3.64 -1.59 -3.35 116.57 121.65 2wet h LYS 212 Ca -0.50 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 58.78 2wet h LYS 212 Cb 1.23 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2wet h LYS 212 CO 0.61 0.71 0.00 1.04 -2.27 0.00 0.00 179.45 179.55 2wet n GLN 213 N -4.37 2.69 -0.23 1.90 1.13 -1.26 -4.80 117.38 112.44 2wet n GLN 213 Ca 0.07 -0.05 0.07 0.00 -1.94 0.00 0.00 57.00 55.15 2wet n GLN 213 Cb 0.09 -0.36 0.17 0.00 0.11 0.00 0.00 30.24 30.25 2wet n GLN 213 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2wet n HIS 214 N -0.40 0.49 -4.93 1.08 8.25 -1.26 -5.11 115.22 113.34 2wet n HIS 214 Ca 0.00 -0.74 0.00 0.00 -0.26 0.00 0.00 57.72 56.72 2wet n HIS 214 Cb 0.03 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 30.97 2wet n HIS 214 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wet n GLY 215 N -0.41 0.85 3.71 -1.41 0.00 -1.26 -4.71 105.19 101.97 2wet n GLY 215 Ca 0.14 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 2wet n GLY 215 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wet s GLU 216 N 0.00 4.50 -0.29 1.61 2.12 -1.26 -1.46 118.70 123.92 2wet s GLU 216 Ca 0.00 1.54 -0.04 0.00 0.36 0.00 0.00 54.97 56.82 2wet s GLU 216 Cb 0.00 -3.43 0.03 0.00 0.26 0.00 0.00 34.13 30.98 2wet s GLU 216 CO 0.00 -0.15 0.03 0.42 -0.54 0.00 0.00 175.26 175.02 2wet s ILE 217 N 1.13 3.47 0.37 -3.70 1.01 0.16 -4.95 121.20 118.70 2wet s ILE 217 Ca 0.54 -0.97 0.08 0.00 0.00 0.00 0.00 60.65 60.30 2wet s ILE 217 Cb -0.24 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.37 2wet s ILE 217 CO 0.28 0.04 0.34 -0.44 0.00 0.00 0.00 174.94 175.16 2wet s SER 218 N 1.40 5.23 -0.08 3.58 0.01 -1.26 -1.00 113.70 121.58 2wet s SER 218 Ca -0.00 -0.58 -0.29 0.00 1.31 0.00 0.00 55.95 56.39 2wet s SER 218 Cb -0.18 -0.81 0.10 0.00 0.21 0.00 0.00 66.02 65.34 2wet s SER 218 CO 0.00 -0.49 1.31 0.61 0.41 0.00 0.00 173.24 175.08 2wet n GLY 219 N -1.47 0.10 0.08 3.44 0.00 -1.26 -4.87 105.19 101.22 2wet n GLY 219 Ca 0.01 -1.01 -0.17 0.00 0.00 0.00 0.00 46.02 44.85 2wet n GLY 219 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wet h ASP 220 N 1.92 0.03 -3.63 1.61 3.32 -1.60 -3.46 116.42 114.60 2wet h ASP 220 Ca -0.19 -0.85 -0.67 0.00 0.02 0.00 0.00 57.03 55.35 2wet h ASP 220 Cb 1.13 -0.01 -0.26 0.00 0.22 0.00 0.00 39.33 40.41 2wet h ASP 220 CO 0.28 1.19 -0.77 -0.22 -1.72 0.00 0.00 179.24 178.00 2wet s LEU 221 N -8.08 2.69 -0.14 1.55 2.96 -0.71 -4.88 118.68 112.08 2wet s LEU 221 Ca -0.22 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 53.40 2wet s LEU 221 Cb 0.00 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 2wet s LEU 221 CO 0.67 0.24 -0.10 -0.36 -1.32 0.00 0.00 176.35 175.48 2wet s PHE 222 N -0.11 2.89 -0.24 5.38 0.08 -0.11 -0.43 117.98 125.44 2wet s PHE 222 Ca -0.02 -0.52 -0.05 0.00 0.12 0.00 0.00 56.93 56.47 2wet s PHE 222 Cb -0.14 -1.88 -0.01 0.00 -0.57 0.00 0.00 43.02 40.42 2wet s PHE 222 CO 0.04 -0.14 0.00 0.08 -0.10 0.00 0.00 175.22 175.09 2wet s VAL 223 N 0.34 3.63 -0.56 -0.44 1.01 -0.04 -1.21 120.40 123.13 2wet s VAL 223 Ca -0.08 -0.51 -0.26 0.00 0.00 0.00 0.00 61.98 61.13 2wet s VAL 223 Cb -0.15 -2.72 0.04 0.00 0.00 0.00 0.00 36.38 33.54 2wet s VAL 223 CO 0.05 0.32 1.05 -0.62 0.00 0.00 0.00 175.10 175.90 2wet s ASP 224 N 1.50 6.40 -0.26 3.32 -1.08 0.19 -1.31 116.67 125.42 2wet s ASP 224 Ca 0.05 -0.13 0.10 0.00 -0.52 0.00 0.00 52.55 52.06 2wet s ASP 224 Cb -0.15 -2.49 0.46 0.00 -1.46 0.00 0.00 42.92 39.28 2wet s ASP 224 CO -0.01 -1.32 1.19 0.00 0.52 0.00 0.00 175.17 175.55 2wet n THR 226 N -0.73 0.13 -4.09 0.00 -2.24 -1.12 -4.25 114.28 101.99 2wet n THR 226 Ca 0.34 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2wet n THR 226 Cb 0.90 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 2wet n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wet n GLY 227 N 0.99 -1.49 0.54 3.38 0.00 -1.26 -4.15 105.19 103.19 2wet n GLY 227 Ca 0.15 -1.30 0.39 0.00 0.00 0.00 0.00 46.02 45.26 2wet n GLY 227 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2wet h PHE 228 N 0.00 0.31 -0.99 1.61 0.04 -1.93 -0.84 116.94 115.13 2wet h PHE 228 Ca 0.00 0.01 0.19 0.00 2.80 0.00 0.00 57.97 60.98 2wet h PHE 228 Cb 0.00 -0.08 -0.10 0.00 2.20 0.00 0.00 35.95 37.97 2wet h PHE 228 CO 0.00 -0.09 0.61 -0.09 -0.60 0.00 0.00 178.31 178.15 2wet h ARG 229 N 0.08 0.66 -6.37 1.51 2.43 -1.90 -3.46 114.38 107.32 2wet h ARG 229 Ca 0.78 -0.04 -0.47 0.00 -0.81 0.00 0.00 59.98 59.44 2wet h ARG 229 Cb 2.71 -0.15 0.04 0.00 -0.42 0.00 0.00 29.97 32.15 2wet h ARG 229 CO -0.23 0.44 -0.93 0.41 -1.51 0.00 0.00 179.97 178.14 2wet n GLY 230 N -1.38 -0.77 0.24 2.80 0.00 -0.34 -4.60 105.19 101.14 2wet n GLY 230 Ca 0.22 0.36 -0.06 0.00 0.00 0.00 0.00 46.02 46.54 2wet n GLY 230 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wet h LEU 231 N -1.97 0.59 0.00 0.99 5.85 -1.89 0.10 115.31 118.99 2wet h LEU 231 Ca -0.66 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 57.76 2wet h LEU 231 Cb 1.37 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 2wet h LEU 231 CO 0.52 0.88 -0.62 -0.07 -0.34 0.00 0.00 178.44 178.81 2wet h LEU 232 N 0.49 0.00 -0.71 2.25 3.38 -1.94 -2.59 115.31 116.19 2wet h LEU 232 Ca 0.06 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 2wet h LEU 232 Cb 0.80 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2wet h LEU 232 CO 0.07 0.94 -0.19 -0.29 0.09 0.00 0.00 178.44 179.05 2wet h ILE 233 N -1.00 1.27 0.00 1.22 6.09 -1.95 -0.30 117.51 122.84 2wet h ILE 233 Ca -0.10 -1.29 -0.34 0.00 -1.37 0.00 0.00 64.86 61.77 2wet h ILE 233 Cb 0.69 1.15 -0.05 0.00 0.47 0.00 0.00 36.82 39.08 2wet h ILE 233 CO -0.06 0.44 -2.10 0.59 -3.07 0.00 0.00 178.15 173.94 2wet n ASN 234 N -4.13 1.84 0.14 2.19 4.13 -0.29 -0.98 115.26 118.17 2wet n ASN 234 Ca 0.01 0.32 0.02 0.00 1.68 0.00 0.00 54.58 56.60 2wet n ASN 234 Cb 0.41 -0.75 0.06 0.00 -1.54 0.00 0.00 39.78 37.96 2wet n ASN 234 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 2wet h GLN 235 N -0.93 0.00 0.00 3.52 4.20 -1.11 -2.36 115.11 118.42 2wet h GLN 235 Ca -0.51 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 57.83 2wet h GLN 235 Cb 1.43 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.15 2wet h GLN 235 CO -0.31 0.53 -2.09 2.41 -0.67 0.00 0.00 178.83 178.71 2wet n THR 236 N -3.28 1.53 0.97 -0.54 -1.04 -0.98 -4.69 114.28 106.25 2wet n THR 236 Ca 0.01 -0.25 0.12 0.00 -2.04 0.00 0.00 64.05 61.89 2wet n THR 236 Cb 0.72 -1.96 0.21 0.00 -1.82 0.00 0.00 70.33 67.49 2wet n THR 236 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2wet n LEU 237 N -4.32 0.55 -0.34 -4.42 4.77 -0.15 -4.96 117.00 108.13 2wet n LEU 237 Ca -0.46 -0.03 -0.04 0.00 -0.03 0.00 0.00 56.01 55.45 2wet n LEU 237 Cb 0.80 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 2wet n LEU 237 CO 0.08 0.12 -0.04 0.61 -1.33 0.00 0.00 177.39 176.84 2wet n GLY 238 N 1.49 0.72 3.59 -0.72 0.00 -0.89 -4.96 105.19 104.43 2wet n GLY 238 Ca 0.05 -0.76 -0.44 0.00 0.00 0.00 0.00 46.02 44.88 2wet n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wet n GLY 239 N -2.35 -0.29 3.75 -0.02 0.00 -0.15 -4.94 105.19 101.19 2wet n GLY 239 Ca -0.04 0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 2wet n GLY 239 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wet s ARG 240 N -1.67 4.20 -0.21 1.61 0.52 -1.26 -4.68 118.95 117.46 2wet s ARG 240 Ca 0.60 0.33 -0.09 0.00 -0.52 0.00 0.00 55.73 56.04 2wet s ARG 240 Cb -0.66 -3.38 -0.05 0.00 0.52 0.00 0.00 34.95 31.39 2wet s ARG 240 CO 0.59 0.32 0.11 0.12 0.02 0.00 0.00 175.30 176.46 2wet s PHE 241 N 0.16 3.31 -0.40 -0.53 5.36 -1.26 -0.80 117.98 123.81 2wet s PHE 241 Ca 0.22 0.16 -0.16 0.00 -0.96 0.00 0.00 56.93 56.20 2wet s PHE 241 Cb -0.15 -2.18 0.01 0.00 -0.34 0.00 0.00 43.02 40.37 2wet s PHE 241 CO 0.09 0.13 0.37 -1.14 -1.46 0.00 0.00 175.22 173.21 2wet s GLN 242 N 0.68 3.16 0.36 10.12 0.74 0.17 -4.94 119.66 129.95 2wet s GLN 242 Ca 0.06 -0.77 -0.27 0.00 0.05 0.00 0.00 55.36 54.44 2wet s GLN 242 Cb -0.13 -3.93 -0.09 0.00 1.10 0.00 0.00 33.01 29.96 2wet s GLN 242 CO 0.01 -0.75 1.14 0.45 -0.55 0.00 0.00 175.29 175.60 2wet s SER 243 N 1.76 6.82 -0.12 6.67 0.15 -1.26 -0.80 113.70 126.91 2wet s SER 243 Ca 0.10 2.30 0.16 0.00 0.70 0.00 0.00 55.95 59.21 2wet s SER 243 Cb -0.18 -2.62 0.58 0.00 -1.71 0.00 0.00 66.02 62.10 2wet s SER 243 CO 0.12 -0.47 1.50 0.49 1.20 0.00 0.00 173.24 176.08 2wet n PHE 244 N 0.46 1.15 0.30 3.44 3.72 -0.58 -4.70 117.46 121.25 2wet n PHE 244 Ca 0.02 -0.68 0.18 0.00 -0.05 0.00 0.00 57.45 56.92 2wet n PHE 244 Cb 0.46 -0.24 0.97 0.00 -0.94 0.00 0.00 39.48 39.73 2wet n PHE 244 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2wet h SER 245 N 2.93 0.00 -0.15 4.37 0.02 -1.77 0.12 113.55 119.07 2wet h SER 245 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 2wet h SER 245 Cb 1.34 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.86 2wet h SER 245 CO 0.20 0.03 -0.21 -2.24 -1.14 0.00 0.00 176.83 173.47 2wet h ASP 246 N 0.00 0.59 0.00 3.07 2.03 -1.98 -3.23 116.42 116.90 2wet h ASP 246 Ca -0.00 -0.19 0.00 0.00 -0.73 0.00 0.00 57.03 56.10 2wet h ASP 246 Cb 0.15 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.49 2wet h ASP 246 CO 0.00 0.80 -1.63 1.33 -1.03 0.00 0.00 179.24 178.71 2wet n VAL 247 N -4.13 0.00 -3.49 4.15 0.24 -0.82 -4.56 118.33 109.72 2wet n VAL 247 Ca 0.00 -0.34 -0.28 0.00 -2.04 0.00 0.00 64.34 61.68 2wet n VAL 247 Cb 0.40 0.21 -0.11 0.00 -1.47 0.00 0.00 33.84 32.87 2wet n VAL 247 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2wet s LEU 248 N -3.97 1.79 0.22 1.34 1.43 -0.03 -4.91 118.68 114.54 2wet s LEU 248 Ca -0.05 -2.91 0.23 0.00 -1.03 0.00 0.00 54.13 50.37 2wet s LEU 248 Cb 0.10 -0.61 0.93 0.00 0.03 0.00 0.00 46.19 46.65 2wet s LEU 248 CO 0.65 -0.20 1.69 -0.81 0.23 0.00 0.00 176.35 177.91 2wet n PRO 249 N 3.08 0.18 -1.68 1.29 -0.04 -1.22 -4.15 135.00 132.47 2wet n PRO 249 Ca 0.23 0.38 -0.43 0.00 -0.04 0.00 0.00 63.50 63.64 2wet n PRO 249 Cb 0.43 -1.82 -0.03 0.00 -0.04 0.00 0.00 33.50 32.03 2wet n PRO 249 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wet n ASN 250 N -2.16 4.03 0.00 3.54 3.02 -1.26 -4.68 115.26 117.75 2wet n ASN 250 Ca 0.03 0.95 0.00 0.00 -0.03 0.00 0.00 54.58 55.53 2wet n ASN 250 Cb 0.24 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 37.89 2wet n ASN 250 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2wet n ASN 251 N 6.40 0.45 -4.07 6.41 6.94 -0.45 -4.90 115.26 126.04 2wet n ASN 251 Ca 0.19 -0.83 -0.09 0.00 -0.02 0.00 0.00 54.58 53.83 2wet n ASN 251 Cb 0.38 0.14 -0.09 0.00 -2.36 0.00 0.00 39.78 37.85 2wet n ASN 251 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2wet s ARG 252 N -0.14 0.84 0.04 -3.83 0.52 -0.89 -0.47 118.95 115.02 2wet s ARG 252 Ca 0.00 -1.27 -0.03 0.00 -0.52 0.00 0.00 55.73 53.90 2wet s ARG 252 Cb 0.00 0.26 -0.02 0.00 0.52 0.00 0.00 34.95 35.71 2wet s ARG 252 CO 0.00 -0.23 0.04 0.00 0.02 0.00 0.00 175.30 175.13 2wet s ALA 253 N -3.97 0.13 -0.05 2.13 0.00 -0.32 -1.25 121.76 118.44 2wet s ALA 253 Ca 0.15 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.36 2wet s ALA 253 Cb 0.07 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.46 2wet s ALA 253 CO -0.04 -0.32 -0.05 0.54 0.00 0.00 0.00 175.76 175.89 2wet s VAL 254 N -2.89 0.59 0.15 0.00 0.11 -0.59 -0.73 120.40 117.03 2wet s VAL 254 Ca -0.03 -0.14 0.10 0.00 -2.93 0.00 0.00 61.98 58.98 2wet s VAL 254 Cb 0.00 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 2wet s VAL 254 CO -0.06 0.24 -0.24 0.00 -3.33 0.00 0.00 175.10 171.71 2wet s ALA 255 N 0.96 2.26 0.07 1.54 0.00 0.06 -0.57 121.76 126.08 2wet s ALA 255 Ca -0.10 -1.47 -0.02 0.00 0.00 0.00 0.00 51.96 50.37 2wet s ALA 255 Cb -0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 2wet s ALA 255 CO -0.00 0.43 0.01 -0.51 0.00 0.00 0.00 175.76 175.70 2wet s LEU 256 N -2.27 2.22 -0.30 0.00 1.43 0.49 -0.69 118.68 119.56 2wet s LEU 256 Ca 0.14 -1.02 0.03 0.00 -1.03 0.00 0.00 54.13 52.25 2wet s LEU 256 Cb -0.09 0.30 0.08 0.00 0.03 0.00 0.00 46.19 46.51 2wet s LEU 256 CO 0.07 -0.64 -0.01 -0.13 0.23 0.00 0.00 176.35 175.86 2wet s ARG 257 N -3.95 1.70 -0.22 1.70 0.52 -1.26 -1.98 118.95 115.46 2wet s ARG 257 Ca 0.11 -1.55 -0.02 0.00 -0.52 0.00 0.00 55.73 53.75 2wet s ARG 257 Cb 0.08 -2.95 0.01 0.00 0.52 0.00 0.00 34.95 32.60 2wet s ARG 257 CO -0.07 -0.78 -0.08 0.08 0.02 0.00 0.00 175.30 174.47 2wet s VAL 258 N 1.07 2.95 0.38 3.52 1.01 -0.60 -4.97 120.40 123.76 2wet s VAL 258 Ca 0.02 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 60.96 2wet s VAL 258 Cb -0.19 -2.38 -0.09 0.00 0.00 0.00 0.00 36.38 33.71 2wet s VAL 258 CO -0.08 0.36 1.33 -2.84 0.00 0.00 0.00 175.10 173.87 2wet s PRO 259 N 1.39 4.10 0.13 2.72 0.02 -1.26 0.17 135.00 142.26 2wet s PRO 259 Ca 0.04 2.23 -0.30 0.00 0.02 0.00 0.00 61.00 62.98 2wet s PRO 259 Cb -0.15 -2.88 -0.06 0.00 0.02 0.00 0.00 34.50 31.43 2wet s PRO 259 CO -0.06 -0.41 0.97 0.50 -0.33 0.00 0.00 177.00 177.68 2wet s ARG 260 N -2.09 4.70 0.23 5.54 3.52 -1.26 -4.80 118.95 124.79 2wet s ARG 260 Ca 0.54 1.48 -0.07 0.00 -0.13 0.00 0.00 55.73 57.54 2wet s ARG 260 Cb -0.40 -3.36 0.30 0.00 -1.56 0.00 0.00 34.95 29.93 2wet s ARG 260 CO 0.52 0.23 1.82 1.49 -0.81 0.00 0.00 175.30 178.55 2wet h GLU 261 N 5.43 0.76 -4.77 5.12 4.81 -1.98 -3.36 114.58 120.60 2wet h GLU 261 Ca -0.43 -0.05 -0.67 0.00 -0.13 0.00 0.00 59.36 58.08 2wet h GLU 261 Cb 1.21 -0.17 -0.38 0.00 0.63 0.00 0.00 28.75 30.04 2wet h GLU 261 CO 0.72 0.51 -0.75 1.21 -0.73 0.00 0.00 179.01 179.97 2wet s ASN 262 N -5.65 4.66 0.27 1.04 2.47 -1.26 -5.00 114.94 111.47 2wet s ASN 262 Ca -0.13 -1.74 -0.01 0.00 0.42 0.00 0.00 52.86 51.40 2wet s ASN 262 Cb 0.17 -1.61 0.49 0.00 -1.45 0.00 0.00 41.25 38.85 2wet s ASN 262 CO 0.77 -0.29 1.82 0.44 -3.72 0.00 0.00 177.10 176.12 2wet h ASP 263 N 7.73 0.81 -0.14 -4.21 5.19 -1.94 -2.10 116.42 121.78 2wet h ASP 263 Ca -0.12 0.05 0.04 0.00 -0.62 0.00 0.00 57.03 56.37 2wet h ASP 263 Cb 1.03 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.43 2wet h ASP 263 CO 0.50 0.44 0.15 -0.33 -3.12 0.00 0.00 179.24 176.88 2wet h GLU 264 N 0.90 0.00 -4.73 3.56 3.07 -1.94 -3.34 114.58 112.10 2wet h GLU 264 Ca 0.46 0.00 -0.72 0.00 -0.50 0.00 0.00 59.36 58.59 2wet h GLU 264 Cb 0.44 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.22 2wet h GLU 264 CO -0.26 0.00 1.85 -3.47 -1.40 0.00 0.00 179.01 175.73 2wet n ASP 265 N -3.86 5.01 -4.09 1.42 -0.08 -0.79 -4.61 116.55 109.55 2wet n ASP 265 Ca 0.00 -2.98 -0.32 0.00 -1.51 0.00 0.00 54.79 49.99 2wet n ASP 265 Cb 0.26 -1.61 -0.16 0.00 2.34 0.00 0.00 41.12 41.96 2wet n ASP 265 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 2wet s MET 266 N 2.15 2.63 0.08 -0.67 1.75 -1.26 -4.97 119.30 119.01 2wet s MET 266 Ca 0.45 -0.96 -0.27 0.00 -1.25 0.00 0.00 55.69 53.67 2wet s MET 266 Cb 0.03 -2.61 -0.06 0.00 2.84 0.00 0.00 34.83 35.03 2wet s MET 266 CO 0.01 -0.34 0.83 1.03 -0.65 0.00 0.00 175.02 175.91 2wet s ARG 267 N 1.26 4.57 -0.29 4.11 0.52 -1.26 -4.52 118.95 123.34 2wet s ARG 267 Ca 0.00 1.20 -0.03 0.00 -0.52 0.00 0.00 55.73 56.38 2wet s ARG 267 Cb -0.15 -3.36 0.02 0.00 0.52 0.00 0.00 34.95 31.98 2wet s ARG 267 CO -0.10 0.29 2.73 -0.35 0.02 0.00 0.00 175.30 177.89 2wet n PRO 268 N 2.69 2.06 -3.50 3.54 -0.04 -1.26 -4.66 135.00 133.83 2wet n PRO 268 Ca -0.01 -1.68 -0.11 0.00 -0.04 0.00 0.00 63.50 61.66 2wet n PRO 268 Cb 0.50 -1.90 -0.03 0.00 -0.04 0.00 0.00 33.50 32.03 2wet n PRO 268 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2wet s TYR 269 N -1.00 -0.43 0.34 0.54 -0.85 -1.20 -0.49 117.35 114.27 2wet s TYR 269 Ca 0.50 0.43 -0.20 0.00 -0.52 0.00 0.00 57.07 57.27 2wet s TYR 269 Cb 0.31 0.51 -0.10 0.00 0.38 0.00 0.00 41.96 43.06 2wet s TYR 269 CO -0.11 -0.58 0.85 0.99 -1.52 0.00 0.00 175.55 175.19 2wet s THR 270 N -2.65 4.46 -0.14 -3.49 2.01 -1.05 -4.49 115.64 110.29 2wet s THR 270 Ca 0.01 1.39 -0.00 0.00 0.31 0.00 0.00 61.69 63.40 2wet s THR 270 Cb -0.01 -3.75 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 2wet s THR 270 CO -0.06 -0.07 -0.13 -0.89 -0.69 0.00 0.00 174.62 172.78 2wet s THR 271 N -1.87 2.96 -0.32 -0.82 2.01 -0.18 -0.68 115.64 116.75 2wet s THR 271 Ca 0.54 -0.68 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 2wet s THR 271 Cb -0.13 -2.25 0.03 0.00 0.01 0.00 0.00 72.50 70.16 2wet s THR 271 CO 0.18 0.52 0.07 0.00 -0.69 0.00 0.00 174.62 174.70 2wet s ALA 272 N 0.50 2.98 -0.19 7.40 0.00 0.30 -0.99 121.76 131.77 2wet s ALA 272 Ca -0.09 -1.66 -0.03 0.00 0.00 0.00 0.00 51.96 50.18 2wet s ALA 272 Cb -0.16 -2.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.81 2wet s ALA 272 CO 0.04 -1.20 -0.06 0.99 0.00 0.00 0.00 175.76 175.53 2wet s THR 273 N 1.39 3.33 0.20 0.00 2.01 -0.26 -1.03 115.64 121.28 2wet s THR 273 Ca -0.01 -0.52 -0.30 0.00 0.31 0.00 0.00 61.69 61.16 2wet s THR 273 Cb -0.19 -2.48 -0.09 0.00 0.01 0.00 0.00 72.50 69.75 2wet s THR 273 CO 0.01 0.46 1.39 0.00 -0.69 0.00 0.00 174.62 175.79 2wet s ALA 274 N 1.11 3.59 0.00 7.40 0.00 -0.07 -0.64 121.76 133.15 2wet s ALA 274 Ca 0.01 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.17 2wet s ALA 274 Cb -0.15 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2wet s ALA 274 CO -0.01 -0.64 0.00 -1.33 0.00 0.00 0.00 175.76 173.78 2wet n MET 275 N 2.90 2.30 0.21 0.00 2.81 0.96 -4.88 117.12 121.41 2wet n MET 275 Ca 0.08 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 56.07 2wet n MET 275 Cb 0.41 0.00 0.25 0.00 -0.71 0.00 0.00 33.22 33.17 2wet n MET 275 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2wet h SER 276 N 0.00 0.00 -0.16 7.83 4.64 -1.99 -3.33 113.55 120.55 2wet h SER 276 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 2wet h SER 276 Cb 0.00 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 61.76 2wet h SER 276 CO 0.00 0.17 -0.88 0.00 -0.87 0.00 0.00 176.83 175.25 2wet n ALA 277 N -2.15 2.69 0.00 5.18 0.00 -1.26 -4.58 120.51 120.38 2wet n ALA 277 Ca 0.02 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.34 2wet n ALA 277 Cb 0.54 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.24 2wet n ALA 277 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wet n GLY 278 N -0.21 -0.34 3.33 0.00 0.00 -1.25 -3.18 105.19 103.54 2wet n GLY 278 Ca -0.01 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 2wet n GLY 278 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2wet s TRP 279 N -4.00 0.07 -0.03 1.61 1.48 -0.38 -0.03 118.94 117.66 2wet s TRP 279 Ca 0.00 -0.43 0.06 0.00 -1.06 0.00 0.00 56.10 54.67 2wet s TRP 279 Cb 0.00 0.11 -0.01 0.00 -1.16 0.00 0.00 33.47 32.41 2wet s TRP 279 CO 0.00 -0.70 -0.22 1.41 -4.06 0.00 0.00 176.95 173.38 2wet s MET 280 N -3.88 1.94 0.01 3.25 -2.45 0.19 -0.04 119.30 118.32 2wet s MET 280 Ca 0.08 -0.78 -0.03 0.00 -1.25 0.00 0.00 55.69 53.72 2wet s MET 280 Cb 0.03 -1.78 -0.04 0.00 1.25 0.00 0.00 34.83 34.28 2wet s MET 280 CO -0.07 0.41 0.21 1.67 1.05 0.00 0.00 175.02 178.29 2wet s TRP 281 N -0.34 3.55 -0.10 4.11 -2.14 0.86 -1.10 118.94 123.78 2wet s TRP 281 Ca 0.04 0.38 -0.00 0.00 2.66 0.00 0.00 56.10 59.17 2wet s TRP 281 Cb -0.10 -1.85 0.02 0.00 -3.10 0.00 0.00 33.47 28.45 2wet s TRP 281 CO 0.01 0.62 -0.07 0.99 -2.66 0.00 0.00 176.95 175.84 2wet s THR 282 N -1.37 0.94 -0.30 0.66 2.01 -0.16 -2.53 115.64 114.90 2wet s THR 282 Ca 0.29 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.06 2wet s THR 282 Cb -0.13 -0.96 0.09 0.00 0.01 0.00 0.00 72.50 71.51 2wet s THR 282 CO 0.20 0.35 0.03 -0.63 -0.69 0.00 0.00 174.62 173.88 2wet s ILE 283 N 1.62 1.59 -0.23 1.82 1.01 0.15 -1.01 121.20 126.15 2wet s ILE 283 Ca 0.03 -1.67 -0.29 0.00 0.00 0.00 0.00 60.65 58.71 2wet s ILE 283 Cb -0.13 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 2wet s ILE 283 CO -0.07 -0.45 1.33 -2.84 0.00 0.00 0.00 174.94 172.91 2wet s PRO 284 N 1.29 4.03 0.54 2.79 0.02 -1.26 0.08 135.00 142.49 2wet s PRO 284 Ca 0.05 1.48 0.09 0.00 0.02 0.00 0.00 61.00 62.64 2wet s PRO 284 Cb -0.18 -3.86 0.07 0.00 0.02 0.00 0.00 34.50 30.55 2wet s PRO 284 CO -0.13 -0.98 0.75 -0.51 -0.33 0.00 0.00 177.00 175.80 2wet s LEU 285 N 4.13 3.22 0.23 -5.54 1.43 0.15 -4.48 118.68 117.84 2wet s LEU 285 Ca 0.58 -0.74 -0.07 0.00 -1.03 0.00 0.00 54.13 52.86 2wet s LEU 285 Cb -0.20 -1.87 0.23 0.00 0.03 0.00 0.00 46.19 44.38 2wet s LEU 285 CO 0.21 -1.22 1.90 0.15 0.23 0.00 0.00 176.35 177.62 2wet h PHE 286 N 0.26 1.12 0.00 0.29 3.04 -1.34 -3.28 116.94 117.03 2wet h PHE 286 Ca -0.32 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.64 2wet h PHE 286 Cb 1.29 -0.38 -0.00 0.00 2.56 0.00 0.00 35.95 39.42 2wet h PHE 286 CO 0.41 0.69 -1.85 1.63 -2.02 0.00 0.00 178.31 177.17 2wet n LYS 287 N -4.48 0.59 -3.86 1.11 5.02 -1.26 -4.97 118.16 110.30 2wet n LYS 287 Ca 0.10 -0.15 -0.09 0.00 -2.02 0.00 0.00 58.31 56.15 2wet n LYS 287 Cb 0.03 -1.43 -0.00 0.00 -0.02 0.00 0.00 35.03 33.61 2wet n LYS 287 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2wet s ARG 288 N -3.20 1.99 0.11 1.97 1.70 -1.24 -4.40 118.95 115.88 2wet s ARG 288 Ca -0.07 -1.28 0.00 0.00 -0.47 0.00 0.00 55.73 53.92 2wet s ARG 288 Cb 0.11 0.59 -0.04 0.00 -0.57 0.00 0.00 34.95 35.05 2wet s ARG 288 CO 0.75 -0.91 0.26 -0.51 -1.08 0.00 0.00 175.30 173.81 2wet s ASP 289 N -3.02 6.37 -0.13 -2.89 1.01 0.13 0.34 116.67 118.47 2wet s ASP 289 Ca 0.15 0.27 -0.06 0.00 0.71 0.00 0.00 52.55 53.62 2wet s ASP 289 Cb -0.05 -1.96 -0.04 0.00 1.01 0.00 0.00 42.92 41.88 2wet s ASP 289 CO 0.10 0.10 0.10 -0.83 0.21 0.00 0.00 175.17 174.85 2wet s GLY 290 N -2.81 2.04 0.01 0.21 0.00 0.11 -1.56 107.32 105.32 2wet s GLY 290 Ca 0.36 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.39 2wet s GLY 290 CO 0.28 -0.27 -0.03 -1.31 0.00 0.00 0.00 173.10 171.76 2wet s ASN 291 N -0.57 0.37 0.00 1.64 0.01 -0.84 -0.68 114.94 114.88 2wet s ASN 291 Ca 0.12 -0.19 -0.28 0.00 -0.71 0.00 0.00 52.86 51.79 2wet s ASN 291 Cb -0.12 -0.00 0.08 0.00 0.41 0.00 0.00 41.25 41.62 2wet s ASN 291 CO 0.02 -0.05 0.69 -0.83 -1.51 0.00 0.00 177.10 175.42 2wet s GLY 292 N -0.49 -0.56 -0.26 0.66 0.00 -1.05 -0.38 107.32 105.23 2wet s GLY 292 Ca -0.03 1.12 -0.03 0.00 0.00 0.00 0.00 44.72 45.78 2wet s GLY 292 CO -0.00 0.70 -0.02 -0.47 0.00 0.00 0.00 173.10 173.30 2wet s TYR 293 N -2.03 3.09 -0.23 1.90 5.04 0.26 -0.10 117.35 125.28 2wet s TYR 293 Ca -0.06 -1.38 -0.16 0.00 -2.44 0.00 0.00 57.07 53.03 2wet s TYR 293 Cb -0.00 -2.11 -0.04 0.00 0.35 0.00 0.00 41.96 40.16 2wet s TYR 293 CO 0.02 -0.68 0.42 0.08 -1.34 0.00 0.00 175.55 174.04 2wet s VAL 294 N 1.38 5.17 0.22 3.14 1.01 0.95 -1.55 120.40 130.71 2wet s VAL 294 Ca 0.01 0.71 -0.05 0.00 0.00 0.00 0.00 61.98 62.65 2wet s VAL 294 Cb -0.17 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2wet s VAL 294 CO -0.03 0.20 0.24 -0.72 0.00 0.00 0.00 175.10 174.80 2wet s TYR 295 N 1.65 0.90 -0.16 5.22 -0.85 -0.38 -1.25 117.35 122.48 2wet s TYR 295 Ca 0.19 -1.17 -0.04 0.00 -0.52 0.00 0.00 57.07 55.52 2wet s TYR 295 Cb -0.15 -0.32 -0.03 0.00 0.38 0.00 0.00 41.96 41.84 2wet s TYR 295 CO 0.09 -0.76 -0.02 0.45 -1.52 0.00 0.00 175.55 173.79 2wet s SER 296 N -3.12 4.96 0.00 -0.18 0.15 -1.19 -1.34 113.70 112.98 2wet s SER 296 Ca 0.34 -0.09 0.28 0.00 0.70 0.00 0.00 55.95 57.18 2wet s SER 296 Cb 0.04 -1.82 1.64 0.00 -1.71 0.00 0.00 66.02 64.18 2wet s SER 296 CO 0.11 0.17 2.01 -0.90 1.20 0.00 0.00 173.24 175.83 2wet n ASP 297 N 3.54 0.00 0.18 5.45 5.68 -1.26 -1.84 116.55 128.30 2wet n ASP 297 Ca -0.17 -0.79 0.04 0.00 -0.50 0.00 0.00 54.79 53.37 2wet n ASP 297 Cb 0.52 -0.03 0.29 0.00 -1.14 0.00 0.00 41.12 40.77 2wet n ASP 297 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2wet h GLU 298 N 0.00 0.00 0.00 0.11 4.81 -1.94 -3.36 114.58 114.20 2wet h GLU 298 Ca 0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 2wet h GLU 298 Cb 0.03 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2wet h GLU 298 CO 0.00 0.42 -1.81 1.19 -0.73 0.00 0.00 179.01 178.08 2wet n PHE 299 N -3.57 0.00 -3.71 0.92 3.72 -0.77 -5.02 117.46 109.04 2wet n PHE 299 Ca -0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 2wet n PHE 299 Cb 0.54 -0.46 -0.09 0.00 -0.94 0.00 0.00 39.48 38.52 2wet n PHE 299 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 2wet s ILE 300 N -2.93 0.01 0.61 4.37 2.07 -1.11 -5.00 121.20 119.22 2wet s ILE 300 Ca -0.06 -0.11 -0.12 0.00 -1.41 0.00 0.00 60.65 58.95 2wet s ILE 300 Cb 0.09 -0.66 -0.04 0.00 0.13 0.00 0.00 42.46 41.97 2wet s ILE 300 CO 0.66 -0.06 1.03 -0.94 -1.91 0.00 0.00 174.94 173.71 2wet s SER 301 N -0.24 6.26 0.34 4.50 1.04 -1.26 -4.06 113.70 120.28 2wet s SER 301 Ca -0.04 1.45 0.07 0.00 0.48 0.00 0.00 55.95 57.91 2wet s SER 301 Cb -0.03 -2.48 0.77 0.00 0.10 0.00 0.00 66.02 64.38 2wet s SER 301 CO 0.02 -0.85 1.87 -0.65 0.98 0.00 0.00 173.24 174.61 2wet h PRO 302 N -0.17 0.72 -0.26 4.02 0.11 -1.97 -1.21 132.00 133.24 2wet h PRO 302 Ca -0.44 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 2wet h PRO 302 Cb 1.19 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 2wet h PRO 302 CO 0.62 0.48 -0.32 0.93 -0.21 0.00 0.00 178.00 179.49 2wet h GLU 303 N 0.75 0.68 -0.66 1.05 3.07 -1.99 -1.62 114.58 115.87 2wet h GLU 303 Ca 0.45 -0.38 0.06 0.00 -0.50 0.00 0.00 59.36 58.98 2wet h GLU 303 Cb 0.65 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.53 2wet h GLU 303 CO -0.21 1.00 0.37 0.93 -1.40 0.00 0.00 179.01 179.70 2wet h GLU 304 N 0.41 0.66 -0.29 2.33 5.08 -1.87 0.29 114.58 121.19 2wet h GLU 304 Ca 0.03 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2wet h GLU 304 Cb 0.90 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2wet h GLU 304 CO 0.08 0.44 0.07 0.00 -1.00 0.00 0.00 179.01 178.60 2wet h ALA 305 N 1.34 0.39 -0.54 3.43 0.00 -1.18 0.13 119.26 122.83 2wet h ALA 305 Ca 0.30 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.09 2wet h ALA 305 Cb 0.18 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2wet h ALA 305 CO -0.18 0.05 0.25 1.49 0.00 0.00 0.00 179.25 180.86 2wet h GLU 306 N 0.31 0.47 -0.52 0.00 4.81 -0.95 0.58 114.58 119.28 2wet h GLU 306 Ca 0.09 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2wet h GLU 306 Cb 0.29 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2wet h GLU 306 CO 0.00 0.31 0.23 0.00 -0.73 0.00 0.00 179.01 178.82 2wet h ARG 307 N 0.48 0.76 -0.88 1.92 3.08 0.01 -0.76 114.38 118.99 2wet h ARG 307 Ca 0.25 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 2wet h ARG 307 Cb 0.21 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 2wet h ARG 307 CO -0.20 0.65 0.48 1.49 -1.07 0.00 0.00 179.97 181.32 2wet h GLU 308 N 0.70 1.23 0.25 0.04 4.81 -0.50 -2.11 114.58 118.99 2wet h GLU 308 Ca 0.18 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2wet h GLU 308 Cb 0.15 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.30 2wet h GLU 308 CO -0.02 0.90 -0.12 1.25 -0.73 0.00 0.00 179.01 180.30 2wet h LEU 309 N 1.23 -0.28 -0.98 1.64 5.85 -0.53 -2.97 115.31 119.26 2wet h LEU 309 Ca 0.31 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.89 2wet h LEU 309 Cb 0.03 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 2wet h LEU 309 CO -0.05 0.08 0.63 0.03 -0.34 0.00 0.00 178.44 178.79 2wet h ARG 310 N -0.68 1.09 -0.21 1.25 3.08 -1.13 -1.78 114.38 115.99 2wet h ARG 310 Ca -0.03 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 2wet h ARG 310 Cb 0.47 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2wet h ARG 310 CO 0.06 0.72 0.00 0.77 -1.07 0.00 0.00 179.97 180.45 2wet h SER 311 N 1.12 0.28 0.11 7.04 0.02 -1.40 0.35 113.55 121.07 2wet h SER 311 Ca 0.44 -0.04 -0.26 0.00 -0.84 0.00 0.00 61.79 61.09 2wet h SER 311 Cb 0.22 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 2wet h SER 311 CO -0.19 0.33 -1.30 0.74 -1.14 0.00 0.00 176.83 175.27 2wet h THR 312 N 0.30 1.10 0.00 -2.27 2.02 -1.19 -3.40 112.91 109.47 2wet h THR 312 Ca 0.07 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.85 2wet h THR 312 Cb 0.21 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 2wet h THR 312 CO 0.00 0.69 -0.73 1.33 0.37 0.00 0.00 175.52 177.18 2wet n VAL 313 N -3.98 0.00 -2.85 3.16 0.24 -0.78 -4.81 118.33 109.31 2wet n VAL 313 Ca -0.24 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.34 61.71 2wet n VAL 313 Cb 0.87 0.68 0.03 0.00 -1.47 0.00 0.00 33.84 33.95 2wet n VAL 313 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wet n ALA 314 N -1.39 2.15 -1.64 2.33 0.00 0.03 -5.06 120.51 116.92 2wet n ALA 314 Ca -0.00 -2.76 -0.49 0.00 0.00 0.00 0.00 53.44 50.19 2wet n ALA 314 Cb 0.09 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 18.52 2wet n ALA 314 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wet n PRO 315 N 0.02 1.70 -0.92 0.00 -0.02 -0.70 -2.34 135.00 132.74 2wet n PRO 315 Ca 0.12 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2wet n PRO 315 Cb 0.76 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 2wet n PRO 315 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wet n GLY 316 N 3.14 0.83 2.69 -1.23 0.00 -1.26 -4.92 105.19 104.43 2wet n GLY 316 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2wet n GLY 316 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wet n ARG 317 N -2.01 4.91 0.00 1.61 1.74 -0.99 -4.75 116.66 117.16 2wet n ARG 317 Ca 0.00 -4.25 0.12 0.00 -0.77 0.00 0.00 57.85 52.95 2wet n ARG 317 Cb 0.00 -2.56 0.56 0.00 -1.02 0.00 0.00 32.46 29.44 2wet n ARG 317 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2wet n ASP 318 N 0.98 0.00 0.21 0.55 8.00 -1.26 -2.11 116.55 122.91 2wet n ASP 318 Ca 0.46 0.34 0.15 0.00 0.71 0.00 0.00 54.79 56.45 2wet n ASP 318 Cb 0.28 -0.44 0.68 0.00 -0.02 0.00 0.00 41.12 41.62 2wet n ASP 318 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 2wet h ASP 319 N 0.00 0.00 -3.39 -2.24 2.03 -2.00 -3.43 116.42 107.40 2wet h ASP 319 Ca 0.00 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.70 2wet h ASP 319 Cb 0.37 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 38.78 2wet h ASP 319 CO 0.00 0.00 0.49 -0.76 -1.03 0.00 0.00 179.24 177.94 2wet s LEU 320 N -5.17 4.06 0.08 0.15 1.43 -0.90 -5.02 118.68 113.32 2wet s LEU 320 Ca 0.00 0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 53.59 2wet s LEU 320 Cb 0.09 -3.18 -0.05 0.00 0.03 0.00 0.00 46.19 43.08 2wet s LEU 320 CO 0.38 -0.65 1.03 -0.70 0.23 0.00 0.00 176.35 176.65 2wet s GLU 321 N 3.07 4.59 0.10 1.70 2.12 -1.26 -5.03 118.70 123.99 2wet s GLU 321 Ca 0.35 1.55 -0.19 0.00 0.36 0.00 0.00 54.97 57.04 2wet s GLU 321 Cb -0.14 -3.38 -0.07 0.00 0.26 0.00 0.00 34.13 30.80 2wet s GLU 321 CO 0.12 0.03 0.59 0.00 -0.54 0.00 0.00 175.26 175.46 2wet s ALA 322 N 0.44 3.57 -0.32 6.30 0.00 -1.26 -4.66 121.76 125.83 2wet s ALA 322 Ca 0.51 0.05 -0.05 0.00 0.00 0.00 0.00 51.96 52.47 2wet s ALA 322 Cb -0.25 -2.66 0.04 0.00 0.00 0.00 0.00 23.12 20.25 2wet s ALA 322 CO 0.30 0.39 0.07 1.21 0.00 0.00 0.00 175.76 177.73 2wet s ASN 323 N -1.21 5.15 -0.12 0.00 2.47 0.14 -4.93 114.94 116.44 2wet s ASN 323 Ca 0.31 -1.14 -0.21 0.00 0.42 0.00 0.00 52.86 52.23 2wet s ASN 323 Cb -0.19 -1.82 -0.03 0.00 -1.45 0.00 0.00 41.25 37.76 2wet s ASN 323 CO 0.20 -0.29 0.63 -1.00 -3.72 0.00 0.00 177.10 172.91 2wet s HIS 324 N 1.36 3.50 -0.06 0.43 3.76 -1.26 -0.76 115.29 122.26 2wet s HIS 324 Ca -0.02 1.07 0.04 0.00 -0.15 0.00 0.00 55.06 55.99 2wet s HIS 324 Cb -0.19 -2.74 0.00 0.00 1.11 0.00 0.00 32.58 30.76 2wet s HIS 324 CO 0.01 0.03 -0.18 0.42 -0.85 0.00 0.00 174.74 174.18 2wet s ILE 325 N 1.08 1.52 -0.21 0.60 1.01 0.09 -5.01 121.20 120.29 2wet s ILE 325 Ca 0.32 -0.74 -0.16 0.00 0.00 0.00 0.00 60.65 60.07 2wet s ILE 325 Cb -0.16 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 2wet s ILE 325 CO 0.14 0.44 0.41 -1.10 0.00 0.00 0.00 174.94 174.82 2wet s GLN 326 N 0.27 4.15 -0.10 2.79 -0.21 -1.26 -1.17 119.66 124.13 2wet s GLN 326 Ca -0.10 0.20 -0.11 0.00 0.02 0.00 0.00 55.36 55.37 2wet s GLN 326 Cb -0.14 -3.56 -0.05 0.00 1.00 0.00 0.00 33.01 30.26 2wet s GLN 326 CO 0.04 -0.09 0.24 -1.64 -2.12 0.00 0.00 175.29 171.73 2wet s MET 327 N 1.46 3.77 -0.51 2.91 -1.94 0.38 -4.99 119.30 120.37 2wet s MET 327 Ca 0.19 0.06 -0.16 0.00 -1.71 0.00 0.00 55.69 54.06 2wet s MET 327 Cb -0.15 -3.25 0.09 0.00 2.01 0.00 0.00 34.83 33.53 2wet s MET 327 CO 0.08 0.63 0.48 0.50 -0.01 0.00 0.00 175.02 176.71 2wet s ARG 328 N -0.70 3.00 -0.30 2.03 3.52 -1.26 -4.81 118.95 120.44 2wet s ARG 328 Ca 0.17 -1.43 -0.12 0.00 -0.13 0.00 0.00 55.73 54.23 2wet s ARG 328 Cb -0.13 -4.20 -0.04 0.00 -1.56 0.00 0.00 34.95 29.02 2wet s ARG 328 CO 0.06 -1.20 0.21 0.42 -0.81 0.00 0.00 175.30 173.99 2wet s ILE 329 N 1.82 5.30 -4.29 4.11 -1.09 -1.26 -4.19 121.20 121.60 2wet s ILE 329 Ca 0.05 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 2wet s ILE 329 Cb -0.26 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 2wet s ILE 329 CO 0.06 0.15 0.00 0.61 -1.23 0.00 0.00 174.94 174.53 2wet n GLY 330 N 5.07 0.31 3.33 6.18 0.00 0.03 -1.52 105.19 118.59 2wet n GLY 330 Ca -0.13 -1.28 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 2wet n GLY 330 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wet s ARG 331 N -2.00 0.88 0.36 1.61 1.70 0.02 -1.03 118.95 120.49 2wet s ARG 331 Ca 0.00 -0.21 -0.28 0.00 -0.47 0.00 0.00 55.73 54.77 2wet s ARG 331 Cb 0.00 0.40 -0.10 0.00 -0.57 0.00 0.00 34.95 34.67 2wet s ARG 331 CO 0.00 -0.28 1.38 -0.80 -1.08 0.00 0.00 175.30 174.51 2wet s ASN 332 N -1.69 6.52 0.23 -2.89 0.01 -0.06 0.44 114.94 117.50 2wet s ASN 332 Ca -0.08 2.83 -0.06 0.00 -0.71 0.00 0.00 52.86 54.83 2wet s ASN 332 Cb -0.02 -2.66 0.36 0.00 0.41 0.00 0.00 41.25 39.35 2wet s ASN 332 CO 0.01 -0.73 1.76 -0.33 -1.51 0.00 0.00 177.10 176.31 2wet h GLU 333 N 3.10 0.51 -4.03 -0.60 4.39 -1.32 -3.41 114.58 113.23 2wet h GLU 333 Ca -0.50 -0.03 -0.40 0.00 0.34 0.00 0.00 59.36 58.77 2wet h GLU 333 Cb 1.24 -0.11 -0.34 0.00 -0.10 0.00 0.00 28.75 29.44 2wet h GLU 333 CO 0.64 0.34 -0.77 1.03 -1.16 0.00 0.00 179.01 179.09 2wet s ARG 334 N -6.05 0.79 0.02 2.33 0.52 -1.26 -4.90 118.95 110.40 2wet s ARG 334 Ca -0.13 -0.11 0.23 0.00 -0.52 0.00 0.00 55.73 55.21 2wet s ARG 334 Cb 0.19 -0.80 0.08 0.00 0.52 0.00 0.00 34.95 34.93 2wet s ARG 334 CO 0.76 -0.07 1.07 0.25 0.02 0.00 0.00 175.30 177.33 2wet n THR 335 N 3.97 0.08 -4.07 0.02 -2.24 -1.26 -4.70 114.28 106.08 2wet n THR 335 Ca -0.25 -0.13 -0.32 0.00 -2.27 0.00 0.00 64.05 61.08 2wet n THR 335 Cb 0.51 0.41 -0.15 0.00 -2.10 0.00 0.00 70.33 69.00 2wet n THR 335 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2wet s TRP 336 N -3.11 3.10 -0.09 4.78 -0.11 -1.26 0.29 118.94 122.55 2wet s TRP 336 Ca 0.06 -2.15 0.01 0.00 1.22 0.00 0.00 56.10 55.24 2wet s TRP 336 Cb 0.16 -1.90 0.02 0.00 -1.50 0.00 0.00 33.47 30.25 2wet s TRP 336 CO 0.80 -0.86 -0.10 0.42 -4.62 0.00 0.00 176.95 172.59 2wet s ILE 337 N 1.16 1.09 0.00 5.86 1.01 -0.23 -4.96 121.20 125.13 2wet s ILE 337 Ca -0.06 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.19 2wet s ILE 337 Cb -0.19 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.24 2wet s ILE 337 CO -0.07 0.36 0.00 0.59 0.00 0.00 0.00 174.94 175.82 2wet n ASN 338 N 4.28 0.00 -2.13 3.58 3.02 -1.26 -1.27 115.26 121.49 2wet n ASN 338 Ca -0.19 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.18 2wet n ASN 338 Cb 0.51 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.89 2wet n ASN 338 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2wet n ASN 339 N 5.63 4.05 -4.10 6.41 6.94 -1.26 -4.93 115.26 127.99 2wet n ASN 339 Ca 0.00 -3.44 -0.26 0.00 -0.02 0.00 0.00 54.58 50.86 2wet n ASN 339 Cb 0.00 -0.80 -0.16 0.00 -2.36 0.00 0.00 39.78 36.45 2wet n ASN 339 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wet s VAL 341 N 0.36 1.71 -0.03 0.00 1.01 -0.35 -1.07 120.40 122.04 2wet s VAL 341 Ca -0.11 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 60.88 2wet s VAL 341 Cb -0.14 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 2wet s VAL 341 CO 0.04 0.48 0.61 0.00 0.00 0.00 0.00 175.10 176.23 2wet s ALA 342 N 0.81 3.45 -0.05 5.51 0.00 0.14 -0.64 121.76 130.99 2wet s ALA 342 Ca -0.09 0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.92 2wet s ALA 342 Cb -0.16 -2.78 0.01 0.00 0.00 0.00 0.00 23.12 20.19 2wet s ALA 342 CO 0.01 0.09 -0.09 0.08 0.00 0.00 0.00 175.76 175.85 2wet s VAL 343 N 0.09 0.86 0.00 0.00 1.01 -0.61 -4.61 120.40 117.14 2wet s VAL 343 Ca 0.32 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2wet s VAL 343 Cb -0.18 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.40 2wet s VAL 343 CO 0.17 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.16 2wet n GLY 344 N 3.75 -0.04 0.28 4.51 0.00 -1.26 -4.36 105.19 108.07 2wet n GLY 344 Ca -0.23 -1.62 0.13 0.00 0.00 0.00 0.00 46.02 44.31 2wet n GLY 344 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wet h LEU 345 N 0.00 0.00 -1.42 0.99 3.38 -1.87 -1.26 115.31 115.14 2wet h LEU 345 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2wet h LEU 345 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2wet h LEU 345 CO 0.00 0.06 -0.29 0.77 0.09 0.00 0.00 178.44 179.07 2wet h SER 346 N 0.00 0.00 0.08 -0.43 4.64 -1.71 -3.22 113.55 112.91 2wet h SER 346 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 2wet h SER 346 Cb 0.15 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.25 2wet h SER 346 CO 0.01 0.29 -0.61 0.00 -0.87 0.00 0.00 176.83 175.65 2wet h ALA 347 N 1.71 -0.03 -1.20 5.18 0.00 -1.47 -3.44 119.26 120.01 2wet h ALA 347 Ca -0.00 -0.62 0.32 0.00 0.00 0.00 0.00 54.91 54.60 2wet h ALA 347 Cb 0.52 0.06 -0.19 0.00 0.00 0.00 0.00 17.79 18.19 2wet h ALA 347 CO 0.04 0.29 0.92 0.00 0.00 0.00 0.00 179.25 180.50 2wet s ALA 348 N -2.64 -2.20 -0.28 0.00 0.00 -1.14 -0.88 121.76 114.63 2wet s ALA 348 Ca -0.14 1.65 -0.24 0.00 0.00 0.00 0.00 51.96 53.23 2wet s ALA 348 Cb 0.01 -0.20 0.11 0.00 0.00 0.00 0.00 23.12 23.04 2wet s ALA 348 CO 0.80 -0.65 0.94 0.12 0.00 0.00 0.00 175.76 176.98 2wet s PHE 349 N -2.17 -0.59 0.20 0.00 5.36 -0.20 -4.20 117.98 116.38 2wet s PHE 349 Ca 0.12 1.38 0.10 0.00 -0.96 0.00 0.00 56.93 57.56 2wet s PHE 349 Cb 0.00 0.36 -0.04 0.00 -0.34 0.00 0.00 43.02 43.00 2wet s PHE 349 CO -0.04 -0.28 -0.20 0.14 -1.46 0.00 0.00 175.22 173.38 2wet s VAL 350 N 0.46 2.11 0.62 3.12 -7.23 -1.26 -0.79 120.40 117.43 2wet s VAL 350 Ca 0.00 -2.06 -0.18 0.00 -1.81 0.00 0.00 61.98 57.94 2wet s VAL 350 Cb -0.05 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 2wet s VAL 350 CO -0.06 -0.28 0.98 -1.84 -0.31 0.00 0.00 175.10 173.58 2wet n GLU 351 N 0.09 0.85 -0.05 4.82 0.28 -1.26 -4.79 120.64 120.58 2wet n GLU 351 Ca -0.11 0.33 0.00 0.00 -0.16 0.00 0.00 57.16 57.22 2wet n GLU 351 Cb 0.57 -2.19 0.00 0.00 1.43 0.00 0.00 31.44 31.25 2wet n GLU 351 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2wet n PRO 352 N -1.18 0.85 0.26 3.44 -0.04 -1.26 -4.35 135.00 132.71 2wet n PRO 352 Ca 0.14 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.69 2wet n PRO 352 Cb 0.48 -1.08 0.66 0.00 -0.04 0.00 0.00 33.50 33.52 2wet n PRO 352 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2wet h LEU 353 N 1.37 0.00 -2.89 1.53 5.85 -2.02 -2.78 115.31 116.37 2wet h LEU 353 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2wet h LEU 353 Cb 0.85 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2wet h LEU 353 CO 0.00 0.07 -0.15 -0.62 -0.34 0.00 0.00 178.44 177.40 2wet n GLU 354 N -4.25 1.15 -3.53 1.25 -0.58 -1.26 -5.02 120.64 108.40 2wet n GLU 354 Ca -0.03 -2.49 -0.20 0.00 -0.42 0.00 0.00 57.16 54.03 2wet n GLU 354 Cb 0.15 -1.37 0.02 0.00 -0.57 0.00 0.00 31.44 29.67 2wet n GLU 354 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2wet n SER 355 N -1.19 -5.95 -0.00 1.62 7.64 -1.05 -4.88 113.62 109.82 2wet n SER 355 Ca 0.14 -0.72 0.03 0.00 1.01 0.00 0.00 58.87 59.34 2wet n SER 355 Cb 0.67 -3.45 -0.04 0.00 -1.01 0.00 0.00 64.21 60.38 2wet n SER 355 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2wet n THR 356 N -2.98 0.00 -0.20 0.44 -2.24 -1.26 -3.82 114.28 104.22 2wet n THR 356 Ca -0.13 -0.31 -0.01 0.00 -2.27 0.00 0.00 64.05 61.32 2wet n THR 356 Cb 0.60 0.86 0.10 0.00 -2.10 0.00 0.00 70.33 69.78 2wet n THR 356 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2wet h GLY 357 N 1.39 0.87 1.77 3.38 0.00 -1.92 0.18 103.07 108.74 2wet h GLY 357 Ca 0.00 -0.18 -0.24 0.00 0.00 0.00 0.00 47.33 46.91 2wet h GLY 357 CO 0.00 0.06 -1.10 -2.22 0.00 0.00 0.00 176.54 173.28 2wet h ILE 358 N 0.51 1.57 -0.41 2.60 2.04 -1.87 -2.65 117.51 119.29 2wet h ILE 358 Ca 0.29 -3.09 0.06 0.00 1.00 0.00 0.00 64.86 63.12 2wet h ILE 358 Cb 0.28 2.83 -0.05 0.00 -0.74 0.00 0.00 36.82 39.13 2wet h ILE 358 CO -0.24 0.90 0.11 0.15 0.00 0.00 0.00 178.15 179.06 2wet h PHE 359 N 0.06 0.18 -0.99 1.37 3.57 -1.71 0.22 116.94 119.63 2wet h PHE 359 Ca -0.08 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.49 2wet h PHE 359 Cb 1.82 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 40.48 2wet h PHE 359 CO 0.04 0.04 0.65 0.74 -2.23 0.00 0.00 178.31 177.55 2wet h PHE 360 N 0.25 1.20 0.38 0.41 0.04 -0.52 0.20 116.94 118.90 2wet h PHE 360 Ca 0.19 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.98 2wet h PHE 360 Cb 0.22 -0.40 0.00 0.00 2.20 0.00 0.00 35.95 37.97 2wet h PHE 360 CO -0.18 0.66 -0.18 0.82 -0.60 0.00 0.00 178.31 178.83 2wet h ILE 361 N 1.21 0.62 -0.63 -0.55 2.04 -1.11 -0.28 117.51 118.82 2wet h ILE 361 Ca 0.41 -0.39 0.07 0.00 1.00 0.00 0.00 64.86 65.95 2wet h ILE 361 Cb 0.08 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 2wet h ILE 361 CO -0.15 0.07 0.32 -0.61 0.00 0.00 0.00 178.15 177.78 2wet h GLN 362 N -0.73 0.56 -0.36 2.37 4.15 -0.51 -1.06 115.11 119.53 2wet h GLN 362 Ca -0.05 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.21 2wet h GLN 362 Cb 0.51 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 2wet h GLN 362 CO 0.08 0.37 -0.28 1.25 -1.93 0.00 0.00 178.83 178.33 2wet h HIS 363 N 0.58 0.96 -0.84 3.99 2.76 -0.96 0.31 115.15 121.94 2wet h HIS 363 Ca 0.29 -0.27 0.11 0.00 -2.20 0.00 0.00 60.37 58.30 2wet h HIS 363 Cb 0.24 -0.21 -0.06 0.00 1.55 0.00 0.00 27.41 28.93 2wet h HIS 363 CO -0.11 1.04 0.55 0.00 -1.30 0.00 0.00 177.93 178.12 2wet h ALA 364 N 0.76 1.74 0.22 5.26 0.00 -0.63 -0.82 119.26 125.80 2wet h ALA 364 Ca 0.07 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.63 2wet h ALA 364 Cb 0.85 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.49 2wet h ALA 364 CO 0.07 0.07 -1.63 0.82 0.00 0.00 0.00 179.25 178.59 2wet h ILE 365 N 0.76 1.10 -0.83 0.00 2.04 -0.81 -1.52 117.51 118.25 2wet h ILE 365 Ca 0.40 -2.60 -0.02 0.00 1.00 0.00 0.00 64.86 63.64 2wet h ILE 365 Cb 0.50 2.90 -0.04 0.00 -0.74 0.00 0.00 36.82 39.44 2wet h ILE 365 CO -0.17 0.84 0.46 -0.33 0.00 0.00 0.00 178.15 178.95 2wet h GLU 366 N 0.13 1.16 0.00 2.37 5.08 -0.77 -1.93 114.58 120.62 2wet h GLU 366 Ca -0.30 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 57.83 2wet h GLU 366 Cb 2.14 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 31.15 2wet h GLU 366 CO 0.23 0.85 -0.45 1.96 -1.00 0.00 0.00 179.01 180.60 2wet h GLN 367 N 1.16 0.00 -0.57 2.33 1.08 -1.21 -2.61 115.11 115.29 2wet h GLN 367 Ca 0.29 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.44 2wet h GLN 367 Cb 0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 2wet h GLN 367 CO -0.05 0.45 0.15 1.25 -0.95 0.00 0.00 178.83 179.68 2wet h LEU 368 N 0.00 0.85 -0.48 1.46 5.85 -0.89 0.17 115.31 122.27 2wet h LEU 368 Ca -0.00 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 2wet h LEU 368 Cb 1.14 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 2wet h LEU 368 CO 0.06 0.85 0.24 0.58 -0.34 0.00 0.00 178.44 179.83 2wet h VAL 369 N 0.80 1.18 -0.47 1.05 2.07 -1.24 0.18 116.25 119.81 2wet h VAL 369 Ca 0.18 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 2wet h VAL 369 Cb 0.32 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2wet h VAL 369 CO -0.00 0.19 0.12 0.11 0.02 0.00 0.00 177.57 178.02 2wet h LYS 370 N 0.63 0.70 -0.66 1.57 1.79 -1.24 -2.67 116.57 116.70 2wet h LYS 370 Ca 0.17 -0.13 -0.17 0.00 -2.18 0.00 0.00 60.65 58.34 2wet h LYS 370 Cb 0.09 -0.11 -0.10 0.00 -1.58 0.00 0.00 32.23 30.52 2wet h LYS 370 CO -0.02 0.63 0.20 0.72 -1.08 0.00 0.00 179.45 179.90 2wet n HIS 371 N -4.31 2.22 -1.72 -1.35 8.25 0.58 -5.01 115.22 113.89 2wet n HIS 371 Ca 0.03 -1.14 -0.43 0.00 -0.26 0.00 0.00 57.72 55.92 2wet n HIS 371 Cb 0.20 -0.63 -0.02 0.00 1.12 0.00 0.00 29.99 30.66 2wet n HIS 371 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2wet n PHE 372 N -0.14 2.64 -2.61 4.41 7.35 0.59 -4.87 117.46 124.83 2wet n PHE 372 Ca 0.37 0.25 -0.34 0.00 -0.76 0.00 0.00 57.45 56.97 2wet n PHE 372 Cb 1.31 -2.58 -0.04 0.00 0.35 0.00 0.00 39.48 38.51 2wet n PHE 372 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2wet s PRO 373 N -0.00 3.93 0.44 -7.13 0.04 -1.26 -5.07 135.00 125.95 2wet s PRO 373 Ca 0.69 1.26 0.07 0.00 0.04 0.00 0.00 61.00 63.06 2wet s PRO 373 Cb -0.55 -2.12 0.07 0.00 0.04 0.00 0.00 34.50 31.95 2wet s PRO 373 CO 0.44 -0.31 0.61 0.41 0.04 0.00 0.00 177.00 178.20 2wet n GLY 374 N -0.45 1.94 0.20 0.56 0.00 -1.26 -4.49 105.19 101.69 2wet n GLY 374 Ca 0.08 -2.20 0.12 0.00 0.00 0.00 0.00 46.02 44.02 2wet n GLY 374 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2wet h GLU 375 N 0.00 0.00 0.00 1.61 4.11 -1.97 -2.49 114.58 115.84 2wet h GLU 375 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.22 2wet h GLU 375 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2wet h GLU 375 CO 0.30 0.00 -0.65 0.00 0.07 0.00 0.00 179.01 178.72 2wet h ARG 376 N 0.00 0.00 -4.03 1.06 3.08 -1.98 -3.46 114.38 109.04 2wet h ARG 376 Ca 0.00 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.65 2wet h ARG 376 Cb 0.25 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.31 2wet h ARG 376 CO 0.00 0.00 -0.56 0.91 -1.07 0.00 0.00 179.97 179.25 2wet n TRP 377 N -2.15 -1.60 -0.72 3.04 7.02 -0.94 -4.82 117.44 117.27 2wet n TRP 377 Ca 0.03 0.31 -0.28 0.00 -1.02 0.00 0.00 57.50 56.54 2wet n TRP 377 Cb 0.45 -4.06 -0.07 0.00 -2.42 0.00 0.00 31.31 25.20 2wet n TRP 377 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 2wet n ASP 378 N -2.28 0.31 0.27 -0.99 -0.08 -1.26 -4.85 116.55 107.66 2wet n ASP 378 Ca -0.15 0.26 0.12 0.00 -1.51 0.00 0.00 54.79 53.50 2wet n ASP 378 Cb 0.64 -0.48 0.76 0.00 2.34 0.00 0.00 41.12 44.37 2wet n ASP 378 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2wet h PRO 379 N 5.41 0.00 -0.12 -0.67 0.11 -2.00 -2.78 132.00 131.95 2wet h PRO 379 Ca -0.04 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.83 2wet h PRO 379 Cb 0.73 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.86 2wet h PRO 379 CO 0.64 0.06 -0.83 0.28 -0.21 0.00 0.00 178.00 177.94 2wet h VAL 380 N 0.00 1.28 -0.48 3.15 2.07 -1.99 -0.78 116.25 119.51 2wet h VAL 380 Ca -0.00 -2.03 -0.05 0.00 0.82 0.00 0.00 66.70 65.44 2wet h VAL 380 Cb 0.13 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2wet h VAL 380 CO 0.01 0.64 0.11 0.25 0.02 0.00 0.00 177.57 178.60 2wet h LEU 381 N 0.50 0.73 -0.33 2.57 5.85 -1.91 -1.75 115.31 120.98 2wet h LEU 381 Ca -0.07 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.43 2wet h LEU 381 Cb 1.47 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 2wet h LEU 381 CO 0.17 0.78 0.17 0.40 -0.34 0.00 0.00 178.44 179.62 2wet h ILE 382 N 0.65 1.00 -0.97 4.05 2.04 -1.46 -1.73 117.51 121.10 2wet h ILE 382 Ca 0.15 -0.12 0.10 0.00 1.00 0.00 0.00 64.86 65.99 2wet h ILE 382 Cb 0.34 0.62 -0.08 0.00 -0.74 0.00 0.00 36.82 36.95 2wet h ILE 382 CO 0.00 0.06 0.60 -1.28 0.00 0.00 0.00 178.15 177.54 2wet h SER 383 N 0.35 0.90 -0.11 1.72 0.87 -0.99 -0.03 113.55 116.26 2wet h SER 383 Ca 0.13 0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.58 2wet h SER 383 Cb 0.03 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2wet h SER 383 CO -0.08 0.50 -0.45 0.00 -0.53 0.00 0.00 176.83 176.27 2wet h ALA 384 N 1.51 0.72 0.04 6.23 0.00 -1.03 -2.07 119.26 124.65 2wet h ALA 384 Ca 0.47 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wet h ALA 384 Cb 0.40 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wet h ALA 384 CO -0.24 0.67 -0.02 -0.92 0.00 0.00 0.00 179.25 178.73 2wet h TYR 385 N 0.53 -0.06 -0.92 0.00 3.20 -0.57 -2.61 116.97 116.55 2wet h TYR 385 Ca 0.03 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.97 2wet h TYR 385 Cb 0.99 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 39.22 2wet h TYR 385 CO 0.05 -0.04 0.60 -0.91 -1.64 0.00 0.00 178.16 176.22 2wet h ASN 386 N -0.06 0.93 -0.34 -2.11 2.35 -0.92 -2.16 115.58 113.27 2wet h ASN 386 Ca -0.00 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2wet h ASN 386 Cb 0.05 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 2wet h ASN 386 CO 0.01 0.59 0.19 -0.33 -1.65 0.00 0.00 177.43 176.24 2wet h GLU 387 N 1.05 0.46 -0.67 0.81 4.39 -1.30 -1.66 114.58 117.66 2wet h GLU 387 Ca 0.40 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 60.09 2wet h GLU 387 Cb 0.20 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.71 2wet h GLU 387 CO -0.15 0.37 0.40 0.00 -1.16 0.00 0.00 179.01 178.47 2wet h ARG 388 N 0.43 0.74 -0.14 2.33 3.08 -1.07 -1.28 114.38 118.46 2wet h ARG 388 Ca 0.12 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.97 2wet h ARG 388 Cb 0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2wet h ARG 388 CO -0.02 0.49 -0.57 0.52 -1.07 0.00 0.00 179.97 179.31 2wet h MET 389 N 0.76 0.46 -0.01 0.04 2.86 -1.26 -0.59 114.93 117.19 2wet h MET 389 Ca 0.28 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2wet h MET 389 Cb 0.09 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 2wet h MET 389 CO -0.14 0.90 0.00 0.00 1.06 0.00 0.00 176.91 178.74 2wet h ALA 390 N 1.03 0.02 -0.86 6.32 0.00 -1.14 -2.78 119.26 121.85 2wet h ALA 390 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2wet h ALA 390 Cb 1.10 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 2wet h ALA 390 CO 0.10 -0.39 0.47 0.45 0.00 0.00 0.00 179.25 179.88 2wet h HIS 391 N -0.17 1.18 -0.19 0.00 -0.00 -1.04 -0.45 115.15 114.48 2wet h HIS 391 Ca 0.00 -0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.39 2wet h HIS 391 Cb 0.19 -0.38 -0.04 0.00 -0.00 0.00 0.00 27.41 27.18 2wet h HIS 391 CO -0.01 0.82 -0.06 1.98 -0.00 0.00 0.00 177.93 180.66 2wet h MET 392 N 1.20 -0.02 0.01 2.45 -1.53 -1.03 0.08 114.93 116.10 2wet h MET 392 Ca 0.30 0.00 -0.17 0.00 -3.44 0.00 0.00 59.70 56.40 2wet h MET 392 Cb 0.03 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.10 2wet h MET 392 CO -0.05 -0.01 -0.66 0.28 0.14 0.00 0.00 176.91 176.61 2wet h VAL 393 N -0.02 1.42 -0.79 -5.77 2.07 -1.32 -3.23 116.25 108.60 2wet h VAL 393 Ca 0.09 -2.13 0.03 0.00 0.82 0.00 0.00 66.70 65.51 2wet h VAL 393 Cb 0.16 2.63 -0.04 0.00 -1.52 0.00 0.00 31.29 32.52 2wet h VAL 393 CO -0.20 0.62 0.52 0.44 0.02 0.00 0.00 177.57 178.97 2wet h ASP 394 N -0.08 0.85 -0.74 0.57 3.32 -0.96 0.19 116.42 119.56 2wet h ASP 394 Ca -0.09 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.97 2wet h ASP 394 Cb 1.38 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.69 2wet h ASP 394 CO 0.13 0.58 0.49 1.23 -1.72 0.00 0.00 179.24 179.95 2wet h GLY 395 N 0.98 1.05 1.02 2.75 0.00 -1.05 -2.28 103.07 105.55 2wet h GLY 395 Ca 0.31 -0.38 -0.14 0.00 0.00 0.00 0.00 47.33 47.12 2wet h GLY 395 CO -0.09 0.36 -0.38 -2.08 0.00 0.00 0.00 176.54 174.35 2wet h VAL 396 N 0.99 1.30 -0.52 4.60 2.07 -1.40 -1.77 116.25 121.52 2wet h VAL 396 Ca 0.28 -1.57 0.09 0.00 0.82 0.00 0.00 66.70 66.32 2wet h VAL 396 Cb -0.09 1.63 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 2wet h VAL 396 CO -0.07 0.50 0.09 0.50 0.02 0.00 0.00 177.57 178.61 2wet h LYS 397 N 0.51 0.22 -0.45 1.57 3.64 -0.84 0.15 116.57 121.36 2wet h LYS 397 Ca 0.03 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 2wet h LYS 397 Cb 0.97 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 2wet h LYS 397 CO 0.09 0.14 0.03 1.49 -2.27 0.00 0.00 179.45 178.94 2wet h GLU 398 N 0.22 0.77 -0.93 1.90 4.81 -1.25 -1.92 114.58 118.18 2wet h GLU 398 Ca 0.26 -0.23 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 2wet h GLU 398 Cb 0.36 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 2wet h GLU 398 CO -0.35 0.82 0.61 0.35 -0.73 0.00 0.00 179.01 179.70 2wet h PHE 399 N 0.62 1.11 -0.30 0.92 3.57 -0.54 -2.43 116.94 119.89 2wet h PHE 399 Ca 0.13 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 2wet h PHE 399 Cb 0.45 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 2wet h PHE 399 CO 0.03 0.62 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.37 2wet h LEU 400 N 1.13 0.77 -1.18 0.59 3.38 -0.45 -2.87 115.31 116.68 2wet h LEU 400 Ca 0.38 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2wet h LEU 400 Cb 0.08 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 2wet h LEU 400 CO -0.13 1.08 0.55 0.58 0.09 0.00 0.00 178.44 180.62 2wet h VAL 401 N 0.47 1.21 -0.57 1.22 2.07 -1.15 0.41 116.25 119.91 2wet h VAL 401 Ca 0.05 -0.39 0.15 0.00 0.82 0.00 0.00 66.70 67.33 2wet h VAL 401 Cb 0.86 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2wet h VAL 401 CO 0.07 0.21 0.40 0.25 0.02 0.00 0.00 177.57 178.52 2wet h LEU 402 N 1.13 0.07 -0.07 2.57 5.85 -1.22 -0.65 115.31 122.99 2wet h LEU 402 Ca 0.31 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 2wet h LEU 402 Cb -0.13 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 2wet h LEU 402 CO -0.07 0.04 0.01 0.45 -0.34 0.00 0.00 178.44 178.53 2wet h HIS 403 N 0.08 0.13 0.00 1.25 3.86 -0.75 -1.48 115.15 118.23 2wet h HIS 403 Ca 0.27 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.39 2wet h HIS 403 Cb 0.98 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.41 2wet h HIS 403 CO -0.00 0.35 -0.35 1.88 0.86 0.00 0.00 177.93 180.67 2wet h TYR 404 N -0.13 0.00 0.01 2.45 0.05 -1.27 -2.04 116.97 116.04 2wet h TYR 404 Ca 0.02 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.61 2wet h TYR 404 Cb 0.29 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 2wet h TYR 404 CO 0.02 0.35 -0.89 0.87 -1.05 0.00 0.00 178.16 177.46 2wet h LYS 405 N 0.00 0.10 0.00 4.88 1.79 -1.07 -3.21 116.57 119.06 2wet h LYS 405 Ca -0.00 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 2wet h LYS 405 Cb 0.64 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2wet h LYS 405 CO 0.05 0.92 -0.01 0.78 -1.08 0.00 0.00 179.45 180.11 2wet h GLY 406 N 2.19 0.00 -4.92 3.86 0.00 -1.03 -3.46 103.07 99.70 2wet h GLY 406 Ca -0.03 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.76 2wet h GLY 406 CO 0.13 0.00 0.95 0.00 0.00 0.00 0.00 176.54 177.62 2wet s ALA 407 N -3.20 3.65 -1.06 3.60 0.00 -0.79 -4.42 121.76 119.55 2wet s ALA 407 Ca 0.07 1.11 0.24 0.00 0.00 0.00 0.00 51.96 53.38 2wet s ALA 407 Cb 0.06 -3.67 0.23 0.00 0.00 0.00 0.00 23.12 19.74 2wet s ALA 407 CO 0.66 -1.06 1.22 1.04 0.00 0.00 0.00 175.76 177.63 2wet n GLN 408 N 5.56 0.07 -2.33 0.00 6.02 -1.00 -4.89 117.38 120.80 2wet n GLN 408 Ca 0.15 -0.05 -0.39 0.00 -0.01 0.00 0.00 57.00 56.70 2wet n GLN 408 Cb 0.41 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.15 2wet n GLN 408 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2wet s ARG 409 N -2.96 4.19 -0.23 -1.09 1.70 -0.85 -4.92 118.95 114.79 2wet s ARG 409 Ca 0.11 1.84 0.22 0.00 -0.47 0.00 0.00 55.73 57.43 2wet s ARG 409 Cb 0.17 -2.78 0.48 0.00 -0.57 0.00 0.00 34.95 32.25 2wet s ARG 409 CO 0.75 -0.20 1.16 0.39 -1.08 0.00 0.00 175.30 176.31 2wet n GLU 410 N 0.31 1.44 0.00 3.89 1.02 -1.26 -4.68 120.64 121.36 2wet n GLU 410 Ca 0.03 -3.06 0.11 0.00 -0.02 0.00 0.00 57.16 54.21 2wet n GLU 410 Cb 0.46 -1.18 -0.03 0.00 -0.02 0.00 0.00 31.44 30.67 2wet n GLU 410 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2wet n ASP 411 N -0.53 1.67 -4.18 1.62 5.75 -1.26 -4.64 116.55 114.98 2wet n ASP 411 Ca 0.04 -1.33 -0.11 0.00 -0.01 0.00 0.00 54.79 53.38 2wet n ASP 411 Cb 0.85 0.63 -0.10 0.00 -1.03 0.00 0.00 41.12 41.47 2wet n ASP 411 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2wet s THR 412 N -2.65 0.51 0.34 2.12 -4.23 -1.26 -5.02 115.64 105.45 2wet s THR 412 Ca 0.15 -1.93 0.12 0.00 -1.18 0.00 0.00 61.69 58.85 2wet s THR 412 Cb 0.17 -1.87 0.33 0.00 1.34 0.00 0.00 72.50 72.48 2wet s THR 412 CO 0.67 -0.68 1.74 -0.65 -0.54 0.00 0.00 174.62 175.15 2wet h PRO 413 N 2.88 0.52 -0.17 3.99 0.11 -1.92 -0.94 132.00 136.47 2wet h PRO 413 Ca -0.36 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.75 2wet h PRO 413 Cb 1.18 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 2wet h PRO 413 CO 0.63 0.34 0.01 -0.92 -0.21 0.00 0.00 178.00 177.85 2wet h TYR 414 N 0.53 0.01 -0.01 0.65 3.20 -1.95 -1.08 116.97 118.32 2wet h TYR 414 Ca 0.63 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 62.33 2wet h TYR 414 Cb 1.31 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 2wet h TYR 414 CO -0.01 -0.01 -0.82 -1.49 -1.64 0.00 0.00 178.16 174.19 2wet h TRP 415 N 0.07 0.26 -0.69 -3.82 4.06 -1.50 -1.82 115.95 112.51 2wet h TRP 415 Ca 0.08 -0.14 -0.02 0.00 2.06 0.00 0.00 58.89 60.87 2wet h TRP 415 Cb 0.09 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 28.19 2wet h TRP 415 CO -0.16 0.92 0.35 0.87 -3.56 0.00 0.00 178.44 176.87 2wet h LYS 416 N 0.11 0.98 -0.01 0.49 1.57 -1.18 -2.96 116.57 115.58 2wet h LYS 416 Ca -0.03 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.48 2wet h LYS 416 Cb 1.43 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 2wet h LYS 416 CO 0.12 0.76 -0.64 0.00 -0.57 0.00 0.00 179.45 179.12 2wet h ALA 417 N 1.17 0.93 -0.34 3.86 0.00 -1.00 -2.88 119.26 121.00 2wet h ALA 417 Ca 0.24 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2wet h ALA 417 Cb 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2wet h ALA 417 CO -0.03 0.79 0.02 0.00 0.00 0.00 0.00 179.25 180.03 2wet h ALA 418 N 1.34 1.41 -0.60 0.00 0.00 -1.18 -1.88 119.26 118.35 2wet h ALA 418 Ca -0.01 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2wet h ALA 418 Cb 1.13 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2wet h ALA 418 CO 0.08 0.42 0.13 -0.22 0.00 0.00 0.00 179.25 179.67 2wet h LYS 419 N 0.50 0.93 -0.01 0.00 3.64 -1.35 -3.23 116.57 117.06 2wet h LYS 419 Ca 0.11 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2wet h LYS 419 Cb 0.29 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2wet h LYS 419 CO 0.01 0.84 -0.63 0.25 -2.27 0.00 0.00 179.45 177.65 2wet n THR 420 N -4.25 0.00 -1.71 1.00 -2.24 -1.14 -5.01 114.28 100.93 2wet n THR 420 Ca 0.04 -0.19 -0.37 0.00 -2.27 0.00 0.00 64.05 61.26 2wet n THR 420 Cb 0.24 1.11 0.06 0.00 -2.10 0.00 0.00 70.33 69.64 2wet n THR 420 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2wet n ARG 421 N -0.77 1.16 -1.38 -0.78 0.63 -0.72 -4.95 116.66 109.85 2wet n ARG 421 Ca 0.05 0.45 -0.35 0.00 -0.92 0.00 0.00 57.85 57.08 2wet n ARG 421 Cb 0.34 -2.47 0.10 0.00 0.45 0.00 0.00 32.46 30.87 2wet n ARG 421 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wet n ALA 422 N -1.76 0.26 -2.52 5.13 0.00 -1.26 -5.05 120.51 115.31 2wet n ALA 422 Ca 0.15 -0.18 -0.25 0.00 0.00 0.00 0.00 53.44 53.16 2wet n ALA 422 Cb 0.47 -2.23 -0.09 0.00 0.00 0.00 0.00 19.45 17.60 2wet n ALA 422 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2wet s MET 423 N -3.63 1.88 0.78 0.00 1.00 -1.26 -4.58 119.30 113.49 2wet s MET 423 Ca 0.76 -1.55 -0.12 0.00 0.00 0.00 0.00 55.69 54.78 2wet s MET 423 Cb -0.34 -1.95 0.07 0.00 0.00 0.00 0.00 34.83 32.61 2wet s MET 423 CO 0.47 0.37 1.13 -2.14 0.00 0.00 0.00 175.02 174.85 2wet s PRO 424 N -3.29 2.01 0.28 2.03 0.02 -1.26 -4.96 135.00 129.82 2wet s PRO 424 Ca 0.28 1.42 -0.30 0.00 0.02 0.00 0.00 61.00 62.42 2wet s PRO 424 Cb -0.07 -1.85 -0.12 0.00 0.02 0.00 0.00 34.50 32.48 2wet s PRO 424 CO 0.15 -1.87 1.48 -0.25 -0.33 0.00 0.00 177.00 176.19 2wet n ASP 425 N -3.35 3.27 0.00 2.53 9.92 -1.26 -2.85 116.55 124.80 2wet n ASP 425 Ca 0.11 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.52 2wet n ASP 425 Cb 0.52 -1.51 0.00 0.00 -0.64 0.00 0.00 41.12 39.49 2wet n ASP 425 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wet n GLY 426 N 2.00 2.33 0.22 0.44 0.00 -1.26 -4.91 105.19 104.01 2wet n GLY 426 Ca 0.09 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 2wet n GLY 426 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wet h LEU 427 N 0.00 0.80 -0.64 0.99 5.85 -1.91 -2.88 115.31 117.52 2wet h LEU 427 Ca 0.00 -0.48 0.13 0.00 0.84 0.00 0.00 57.88 58.37 2wet h LEU 427 Cb 0.00 -0.23 -0.10 0.00 0.37 0.00 0.00 40.66 40.70 2wet h LEU 427 CO 0.00 1.25 0.08 0.00 -0.34 0.00 0.00 178.44 179.43 2wet h ALA 428 N 0.74 0.72 -0.80 1.25 0.00 -1.91 0.11 119.26 119.37 2wet h ALA 428 Ca -0.02 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2wet h ALA 428 Cb 1.26 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 2wet h ALA 428 CO 0.13 -0.36 0.34 -0.09 0.00 0.00 0.00 179.25 179.27 2wet h ARG 429 N 0.19 1.19 -0.69 0.00 9.65 -1.94 0.98 114.38 123.75 2wet h ARG 429 Ca 0.34 -0.20 -0.07 0.00 -1.10 0.00 0.00 59.98 58.95 2wet h ARG 429 Cb 0.56 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.91 2wet h ARG 429 CO -0.49 0.95 0.17 0.87 2.80 0.00 0.00 179.97 184.26 2wet h LYS 430 N 1.16 1.11 -0.47 0.20 1.57 -0.80 -0.68 116.57 118.66 2wet h LYS 430 Ca 0.27 -0.26 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 2wet h LYS 430 Cb 0.19 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2wet h LYS 430 CO -0.03 0.98 -0.24 -0.07 -0.57 0.00 0.00 179.45 179.53 2wet h LEU 431 N 1.05 1.01 -0.37 2.94 3.38 -0.43 -1.48 115.31 121.42 2wet h LEU 431 Ca 0.22 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2wet h LEU 431 Cb 0.37 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2wet h LEU 431 CO 0.00 1.20 0.24 -0.33 0.09 0.00 0.00 178.44 179.64 2wet h GLU 432 N 0.83 0.48 -0.34 1.13 5.08 -0.61 -2.66 114.58 118.51 2wet h GLU 432 Ca 0.10 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2wet h GLU 432 Cb 0.82 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 2wet h GLU 432 CO 0.07 0.33 0.15 -0.07 -1.00 0.00 0.00 179.01 178.49 2wet h LEU 433 N 0.49 0.19 -1.98 1.33 3.38 -1.05 -3.04 115.31 114.63 2wet h LEU 433 Ca 0.13 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2wet h LEU 433 Cb -0.04 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2wet h LEU 433 CO -0.03 0.15 -0.11 0.28 0.09 0.00 0.00 178.44 178.83 2wet h SER 434 N 0.31 0.00 1.42 -0.43 0.02 -1.05 0.20 113.55 114.03 2wet h SER 434 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2wet h SER 434 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2wet h SER 434 CO -0.12 0.11 0.00 0.00 -1.14 0.00 0.00 176.83 175.67 2wet h ALA 435 N 1.89 1.00 0.00 3.77 0.00 -1.36 -3.14 119.26 121.43 2wet h ALA 435 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.48 2wet h ALA 435 Cb 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 2wet h ALA 435 CO 0.01 0.00 -2.48 0.45 0.00 0.00 0.00 179.25 177.24 2wet n SER 436 N -2.59 1.97 -3.65 0.00 2.88 0.45 -1.61 113.62 111.06 2wet n SER 436 Ca 0.04 0.17 -0.06 0.00 -1.33 0.00 0.00 58.87 57.69 2wet n SER 436 Cb 0.40 -0.68 -0.01 0.00 -0.75 0.00 0.00 64.21 63.18 2wet n SER 436 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2wet s HIS 437 N -2.51 -0.10 0.34 0.66 0.00 0.28 -4.42 115.29 109.54 2wet s HIS 437 Ca -0.37 -0.33 -0.27 0.00 -3.00 0.00 0.00 55.06 51.09 2wet s HIS 437 Cb 0.12 0.70 -0.09 0.00 -4.00 0.00 0.00 32.58 29.32 2wet s HIS 437 CO 0.54 -1.12 1.08 -0.51 -1.00 0.00 0.00 174.74 173.73 2wet s LEU 438 N -2.99 4.35 0.67 5.38 1.43 -1.26 -3.59 118.68 122.66 2wet s LEU 438 Ca 0.13 2.17 -0.17 0.00 -1.03 0.00 0.00 54.13 55.23 2wet s LEU 438 Cb -0.04 -3.90 0.00 0.00 0.03 0.00 0.00 46.19 42.28 2wet s LEU 438 CO 0.06 -0.33 1.22 -0.76 0.23 0.00 0.00 176.35 176.77 2wet s LEU 439 N -2.04 3.49 0.00 1.79 1.43 -1.26 -4.97 118.68 117.12 2wet s LEU 439 Ca 0.51 2.42 0.02 0.00 -1.03 0.00 0.00 54.13 56.05 2wet s LEU 439 Cb -0.27 -4.60 -0.01 0.00 0.03 0.00 0.00 46.19 41.34 2wet s LEU 439 CO 0.35 -1.98 0.10 -0.90 0.23 0.00 0.00 176.35 174.15 2wet n ASP 440 N -2.17 -0.25 -0.19 2.29 5.68 -1.26 -4.85 116.55 115.80 2wet n ASP 440 Ca 0.14 -1.71 0.20 0.00 -0.50 0.00 0.00 54.79 52.92 2wet n ASP 440 Cb 0.50 0.57 0.56 0.00 -1.14 0.00 0.00 41.12 41.61 2wet n ASP 440 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2wet h GLU 441 N 0.00 0.29 0.00 0.11 3.07 -1.96 -1.39 114.58 114.70 2wet h GLU 441 Ca -0.08 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 2wet h GLU 441 Cb 0.39 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 2wet h GLU 441 CO 0.11 0.19 -0.35 1.04 -1.40 0.00 0.00 179.01 178.60 2wet n GLN 442 N -4.45 0.20 0.00 2.33 1.13 -1.26 -4.28 117.38 111.06 2wet n GLN 442 Ca 0.17 0.10 0.00 0.00 -1.94 0.00 0.00 57.00 55.33 2wet n GLN 442 Cb 0.70 -1.67 -0.00 0.00 0.11 0.00 0.00 30.24 29.38 2wet n GLN 442 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2wet n THR 443 N -1.99 0.00 -1.93 5.09 -2.24 -0.60 -4.98 114.28 107.65 2wet n THR 443 Ca 0.05 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 61.03 2wet n THR 443 Cb 0.41 1.00 0.18 0.00 -2.10 0.00 0.00 70.33 69.83 2wet n THR 443 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2wet s ILE 444 N -0.68 2.00 0.06 2.28 -4.36 -0.77 -4.85 121.20 114.88 2wet s ILE 444 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 60.65 60.05 2wet s ILE 444 Cb 0.00 -3.00 -0.13 0.00 1.25 0.00 0.00 42.46 40.59 2wet s ILE 444 CO 0.01 0.00 1.71 0.00 0.24 0.00 0.00 174.94 176.90 2wet n TYR 445 N -3.76 2.31 0.64 1.37 9.36 -1.26 -4.87 117.16 120.94 2wet n TYR 445 Ca 0.15 0.14 0.13 0.00 3.32 0.00 0.00 57.90 61.64 2wet n TYR 445 Cb 0.59 -2.60 0.31 0.00 -0.63 0.00 0.00 39.34 37.02 2wet n TYR 445 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2wet n PRO 446 N 4.77 0.25 -4.02 2.98 -0.04 -1.26 -4.85 135.00 132.83 2wet n PRO 446 Ca 0.19 0.14 -0.22 0.00 -0.04 0.00 0.00 63.50 63.57 2wet n PRO 446 Cb 0.29 -1.72 -0.03 0.00 -0.04 0.00 0.00 33.50 32.00 2wet n PRO 446 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2wet s TYR 447 N -3.12 3.33 0.01 0.54 2.02 -1.26 -5.03 117.35 113.85 2wet s TYR 447 Ca 0.09 -0.03 -0.33 0.00 -0.37 0.00 0.00 57.07 56.43 2wet s TYR 447 Cb 0.13 -1.53 -0.12 0.00 -0.40 0.00 0.00 41.96 40.04 2wet s TYR 447 CO 0.65 0.48 1.81 0.98 -1.57 0.00 0.00 175.55 177.90 2wet n TYR 448 N -1.13 2.37 -2.29 2.71 9.36 -1.26 -4.84 117.16 122.08 2wet n TYR 448 Ca -0.08 0.01 0.01 0.00 3.32 0.00 0.00 57.90 61.16 2wet n TYR 448 Cb 0.57 -2.66 0.00 0.00 -0.63 0.00 0.00 39.34 36.62 2wet n TYR 448 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 2wet n HIS 449 N 5.77 0.00 0.00 2.98 1.44 -1.26 -3.51 115.22 120.64 2wet n HIS 449 Ca 0.20 -0.37 0.00 0.00 -2.01 0.00 0.00 57.72 55.54 2wet n HIS 449 Cb 0.31 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.42 2wet n HIS 449 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2wet n GLY 450 N 0.29 1.89 3.78 -1.39 0.00 -1.26 -4.67 105.19 103.83 2wet n GLY 450 Ca -0.01 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 2wet n GLY 450 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wet s PHE 451 N 0.00 3.58 0.56 1.61 0.40 -1.26 -5.03 117.98 117.84 2wet s PHE 451 Ca 0.00 1.74 0.08 0.00 -0.60 0.00 0.00 56.93 58.16 2wet s PHE 451 Cb 0.00 -3.00 0.07 0.00 0.51 0.00 0.00 43.02 40.60 2wet s PHE 451 CO 0.00 -0.05 0.67 -1.21 0.70 0.00 0.00 175.22 175.34 2wet s GLU 452 N -2.11 2.32 0.19 0.44 2.02 -1.26 -5.02 118.70 115.27 2wet s GLU 452 Ca 0.52 -1.72 -0.12 0.00 0.02 0.00 0.00 54.97 53.67 2wet s GLU 452 Cb -0.20 -2.51 0.20 0.00 0.10 0.00 0.00 34.13 31.72 2wet s GLU 452 CO 0.26 -0.76 1.74 1.15 0.02 0.00 0.00 175.26 177.68 2wet h THR 453 N 0.37 0.81 -0.60 3.63 2.02 -1.97 -2.55 112.91 114.61 2wet h THR 453 Ca -0.32 -0.12 0.10 0.00 0.77 0.00 0.00 66.41 66.83 2wet h THR 453 Cb 1.29 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 2wet h THR 453 CO 0.46 0.07 0.40 0.10 0.37 0.00 0.00 175.52 176.92 2wet h TYR 454 N 0.36 0.43 -0.24 3.16 -0.00 -1.94 -1.18 116.97 117.56 2wet h TYR 454 Ca 0.26 0.01 -0.05 0.00 0.00 0.00 0.00 58.73 58.94 2wet h TYR 454 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 36.73 36.87 2wet h TYR 454 CO -0.17 0.21 -0.06 0.77 -0.00 0.00 0.00 178.16 178.90 2wet h SER 455 N 0.41 0.47 -0.04 0.10 0.02 -1.83 0.20 113.55 112.87 2wet h SER 455 Ca 0.28 -0.37 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2wet h SER 455 Cb 0.55 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 2wet h SER 455 CO -0.08 0.73 -0.10 -0.50 -1.14 0.00 0.00 176.83 175.74 2wet h TRP 456 N 0.20 -0.26 -0.12 3.45 4.06 -1.24 -2.43 115.95 119.61 2wet h TRP 456 Ca 0.06 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.02 2wet h TRP 456 Cb 0.53 0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 28.80 2wet h TRP 456 CO 0.05 -0.16 0.08 0.82 -3.56 0.00 0.00 178.44 175.68 2wet h ILE 457 N -0.16 1.04 -0.40 1.49 2.04 -1.13 -2.22 117.51 118.17 2wet h ILE 457 Ca 0.05 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.86 2wet h ILE 457 Cb 0.23 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 2wet h ILE 457 CO -0.13 0.03 0.23 0.74 0.00 0.00 0.00 178.15 179.03 2wet h THR 458 N 0.16 1.04 -0.37 -0.27 2.02 -0.60 0.15 112.91 115.04 2wet h THR 458 Ca 0.05 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.07 2wet h THR 458 Cb -0.01 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 2wet h THR 458 CO -0.01 0.09 0.24 0.24 0.37 0.00 0.00 175.52 176.45 2wet h MET 459 N 0.47 0.47 -0.10 6.66 2.86 -1.39 -0.40 114.93 123.52 2wet h MET 459 Ca 0.16 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.78 2wet h MET 459 Cb 0.01 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2wet h MET 459 CO -0.08 0.31 0.01 -0.91 1.06 0.00 0.00 176.91 177.31 2wet h ASN 460 N 0.49 -0.01 -0.47 1.22 2.35 -0.75 -0.77 115.58 117.65 2wet h ASN 460 Ca 0.14 0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.78 2wet h ASN 460 Cb -0.04 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 2wet h ASN 460 CO -0.04 0.01 -0.18 -0.07 -1.65 0.00 0.00 177.43 175.50 2wet h LEU 461 N 0.05 0.99 -0.44 1.61 3.38 -0.93 0.29 115.31 120.26 2wet h LEU 461 Ca 0.04 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 2wet h LEU 461 Cb 0.04 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2wet h LEU 461 CO -0.06 1.15 0.12 1.23 0.09 0.00 0.00 178.44 180.97 2wet h GLY 462 N 0.91 0.75 2.00 0.83 0.00 -0.89 -3.15 103.07 103.51 2wet h GLY 462 Ca 0.12 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 2wet h GLY 462 CO 0.06 0.43 -0.41 1.41 0.00 0.00 0.00 176.54 178.02 2wet h LEU 463 N 0.58 0.00 0.00 3.11 3.38 -1.13 -3.47 115.31 117.78 2wet h LEU 463 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2wet h LEU 463 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2wet h LEU 463 CO -0.00 0.41 0.00 0.61 0.09 0.00 0.00 178.44 179.55 2wet n GLY 464 N 0.73 1.53 3.37 0.83 0.00 -0.57 -4.49 105.19 106.60 2wet n GLY 464 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 2wet n GLY 464 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wet s ILE 465 N -2.00 5.16 -0.03 -0.61 1.01 0.91 -5.01 121.20 120.64 2wet s ILE 465 Ca 0.00 -1.79 0.07 0.00 0.00 0.00 0.00 60.65 58.93 2wet s ILE 465 Cb 0.00 -4.54 -0.02 0.00 0.01 0.00 0.00 42.46 37.91 2wet s ILE 465 CO 0.00 -1.16 -0.24 -0.69 0.00 0.00 0.00 174.94 172.85 2wet s VAL 466 N 1.56 1.94 0.44 2.92 1.01 -1.26 -3.99 120.40 123.01 2wet s VAL 466 Ca 0.18 -1.04 -0.25 0.00 0.00 0.00 0.00 61.98 60.88 2wet s VAL 466 Cb -0.14 -1.62 -0.09 0.00 0.00 0.00 0.00 36.38 34.53 2wet s VAL 466 CO -0.04 0.55 1.32 -2.65 0.00 0.00 0.00 175.10 174.27 2wet n PRO 467 N 2.62 1.99 -0.27 2.72 -0.02 -1.18 -4.60 135.00 136.25 2wet n PRO 467 Ca -0.16 0.71 0.06 0.00 -2.02 0.00 0.00 63.50 62.09 2wet n PRO 467 Cb 0.52 -2.46 0.29 0.00 -0.02 0.00 0.00 33.50 31.82 2wet n PRO 467 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2wet h GLU 468 N 2.08 0.88 -4.15 -0.52 4.81 -1.51 -3.44 114.58 112.73 2wet h GLU 468 Ca -0.49 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 58.56 2wet h GLU 468 Cb 1.29 -0.20 -0.14 0.00 0.63 0.00 0.00 28.75 30.33 2wet h GLU 468 CO 0.60 0.58 -0.56 1.03 -0.73 0.00 0.00 179.01 179.94 2wet s ARG 469 N -5.82 0.83 1.08 1.92 0.52 -1.26 -5.15 118.95 111.07 2wet s ARG 469 Ca -0.11 -1.22 -0.12 0.00 -0.52 0.00 0.00 55.73 53.76 2wet s ARG 469 Cb 0.20 0.27 0.24 0.00 0.52 0.00 0.00 34.95 36.18 2wet s ARG 469 CO 0.79 -0.23 1.06 -2.14 0.02 0.00 0.00 175.30 174.80 2wet s PRO 470 N -3.95 -0.28 0.00 3.54 0.02 -1.26 -4.89 135.00 128.18 2wet s PRO 470 Ca 0.13 0.85 -0.30 0.00 0.02 0.00 0.00 61.00 61.70 2wet s PRO 470 Cb 0.07 -1.63 -0.06 0.00 0.02 0.00 0.00 34.50 32.90 2wet s PRO 470 CO -0.05 -3.30 1.48 0.50 -0.33 0.00 0.00 177.00 175.30 2wet s ARG 471 N -4.62 4.25 0.53 5.54 3.52 -1.26 -4.88 118.95 122.03 2wet s ARG 471 Ca 0.67 2.07 0.20 0.00 -0.13 0.00 0.00 55.73 58.53 2wet s ARG 471 Cb -0.23 -3.64 1.38 0.00 -1.56 0.00 0.00 34.95 30.91 2wet s ARG 471 CO 0.62 -0.65 2.15 -1.35 -0.81 0.00 0.00 175.30 175.25 2wet h PRO 472 N 8.17 0.00 -0.46 5.12 0.11 -1.98 -0.90 132.00 142.05 2wet h PRO 472 Ca -0.39 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.77 2wet h PRO 472 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2wet h PRO 472 CO 0.92 0.00 0.31 0.00 -0.21 0.00 0.00 178.00 179.01 2wet h ALA 473 N 1.96 1.89 0.00 -0.75 0.00 -2.01 -2.47 119.26 117.88 2wet h ALA 473 Ca 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2wet h ALA 473 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2wet h ALA 473 CO -0.00 0.04 -0.25 -0.07 0.00 0.00 0.00 179.25 178.97 2wet h LEU 474 N 0.42 0.00 -1.97 0.00 3.38 -1.54 -1.53 115.31 114.06 2wet h LEU 474 Ca 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2wet h LEU 474 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2wet h LEU 474 CO -0.05 0.25 -0.05 -0.07 0.09 0.00 0.00 178.44 178.62 2wet h LEU 475 N 0.00 0.00 -1.05 1.67 3.38 -1.59 -1.92 115.31 115.80 2wet h LEU 475 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wet h LEU 475 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2wet h LEU 475 CO 0.03 0.05 0.00 1.41 0.09 0.00 0.00 178.44 180.02 2wet n HIS 476 N -3.25 0.19 -4.37 1.13 8.25 -0.58 -4.94 115.22 111.65 2wet n HIS 476 Ca -0.01 -0.09 -0.25 0.00 -0.26 0.00 0.00 57.72 57.11 2wet n HIS 476 Cb 0.23 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.23 2wet n HIS 476 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2wet s MET 477 N -1.81 1.37 -0.11 -0.41 -1.94 -0.72 -5.10 119.30 110.58 2wet s MET 477 Ca 0.32 -1.42 -0.29 0.00 -1.71 0.00 0.00 55.69 52.59 2wet s MET 477 Cb 0.17 -1.61 -0.04 0.00 2.01 0.00 0.00 34.83 35.36 2wet s MET 477 CO 0.26 0.35 1.58 0.34 -0.01 0.00 0.00 175.02 177.54 2wet s ASP 478 N -2.52 6.65 0.00 3.03 2.15 -1.26 -4.89 116.67 119.83 2wet s ASP 478 Ca 0.17 2.02 0.29 0.00 0.43 0.00 0.00 52.55 55.45 2wet s ASP 478 Cb -0.08 -2.53 1.23 0.00 -0.30 0.00 0.00 42.92 41.24 2wet s ASP 478 CO 0.08 -0.97 1.89 -0.81 -0.17 0.00 0.00 175.17 175.19 2wet n PRO 479 N 7.16 0.29 -0.01 4.34 -0.04 -1.26 -4.26 135.00 141.21 2wet n PRO 479 Ca 0.17 -0.05 -0.09 0.00 -0.04 0.00 0.00 63.50 63.48 2wet n PRO 479 Cb 0.44 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 2wet n PRO 479 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wet h ALA 480 N 3.27 -0.03 -0.58 0.55 0.00 -1.99 -1.67 119.26 118.81 2wet h ALA 480 Ca 0.00 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2wet h ALA 480 Cb 0.40 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2wet h ALA 480 CO 0.00 -0.57 0.39 -1.35 0.00 0.00 0.00 179.25 177.71 2wet h PRO 481 N -0.15 0.53 0.08 0.00 0.11 -2.00 -0.35 132.00 130.24 2wet h PRO 481 Ca 0.09 -0.03 -0.26 0.00 0.11 0.00 0.00 66.00 65.91 2wet h PRO 481 Cb 0.28 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.28 2wet h PRO 481 CO -0.22 0.35 -1.13 0.00 -0.21 0.00 0.00 178.00 176.79 2wet h ALA 482 N 1.69 0.18 -0.07 -0.75 0.00 -1.75 -2.58 119.26 115.98 2wet h ALA 482 Ca 0.25 -0.80 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 2wet h ALA 482 Cb 0.29 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2wet h ALA 482 CO -0.07 0.85 -0.36 -0.07 0.00 0.00 0.00 179.25 179.60 2wet h LEU 483 N 0.17 0.13 -0.65 0.00 3.38 -0.90 -0.42 115.31 117.03 2wet h LEU 483 Ca -0.13 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 2wet h LEU 483 Cb 1.82 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.52 2wet h LEU 483 CO 0.20 0.49 -0.35 0.00 0.09 0.00 0.00 178.44 178.87 2wet h ALA 484 N 1.52 0.89 0.12 1.53 0.00 -1.08 -2.56 119.26 119.69 2wet h ALA 484 Ca 0.01 -0.31 -0.29 0.00 0.00 0.00 0.00 54.91 54.32 2wet h ALA 484 Cb 0.70 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.46 2wet h ALA 484 CO 0.05 0.43 -1.23 1.49 0.00 0.00 0.00 179.25 179.99 2wet h GLU 485 N 0.00 0.56 -0.77 0.00 4.57 -0.94 -1.38 114.58 116.62 2wet h GLU 485 Ca -0.00 -0.76 -0.06 0.00 -1.18 0.00 0.00 59.36 57.36 2wet h GLU 485 Cb 1.01 0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 29.82 2wet h GLU 485 CO 0.04 1.34 0.26 0.74 -1.18 0.00 0.00 179.01 180.21 2wet h PHE 486 N 0.24 1.22 -0.52 0.92 -1.00 -1.02 -0.23 116.94 116.54 2wet h PHE 486 Ca -0.18 -0.11 -0.07 0.00 2.81 0.00 0.00 57.97 60.42 2wet h PHE 486 Cb 1.90 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 41.09 2wet h PHE 486 CO 0.10 0.94 0.03 0.93 -1.61 0.00 0.00 178.31 178.71 2wet h GLU 487 N 1.14 0.90 -0.36 1.51 4.39 -1.52 -1.64 114.58 118.99 2wet h GLU 487 Ca 0.25 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.69 2wet h GLU 487 Cb 0.28 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 2wet h GLU 487 CO -0.01 0.90 0.23 -0.09 -1.16 0.00 0.00 179.01 178.88 2wet h ARG 488 N 0.77 0.45 -0.75 2.33 2.43 -0.76 -0.90 114.38 117.95 2wet h ARG 488 Ca 0.15 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.34 2wet h ARG 488 Cb 0.48 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.88 2wet h ARG 488 CO 0.02 0.30 0.46 -0.07 -1.51 0.00 0.00 179.97 179.17 2wet h LEU 489 N 0.46 0.74 -0.96 3.80 3.38 -0.96 -0.07 115.31 121.70 2wet h LEU 489 Ca 0.14 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 2wet h LEU 489 Cb -0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2wet h LEU 489 CO -0.05 0.49 -0.00 -0.09 0.09 0.00 0.00 178.44 178.89 2wet h ARG 490 N 0.87 0.75 0.10 1.13 2.43 -0.80 -0.76 114.38 118.11 2wet h ARG 490 Ca 0.31 -0.20 -0.28 0.00 -0.81 0.00 0.00 59.98 59.00 2wet h ARG 490 Cb 0.08 -0.09 0.03 0.00 -0.42 0.00 0.00 29.97 29.57 2wet h ARG 490 CO -0.14 0.76 -1.16 -0.09 -1.51 0.00 0.00 179.97 177.84 2wet h ARG 491 N 0.71 0.61 -0.67 0.20 2.43 -0.88 -2.36 114.38 114.41 2wet h ARG 491 Ca 0.14 -0.79 -0.02 0.00 -0.81 0.00 0.00 59.98 58.51 2wet h ARG 491 Cb 0.43 0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 2wet h ARG 491 CO 0.02 1.35 0.35 0.93 -1.51 0.00 0.00 179.97 181.12 2wet h GLU 492 N 0.23 0.94 -0.09 0.20 5.08 -0.90 -2.20 114.58 117.84 2wet h GLU 492 Ca -0.17 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2wet h GLU 492 Cb 1.84 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.90 2wet h GLU 492 CO 0.22 0.70 0.04 0.78 -1.00 0.00 0.00 179.01 179.75 2wet h GLY 493 N 1.00 0.14 0.18 -3.84 0.00 -1.12 -1.76 103.07 97.67 2wet h GLY 493 Ca 0.24 -0.07 0.12 0.00 0.00 0.00 0.00 47.33 47.62 2wet h GLY 493 CO -0.04 0.07 0.19 -0.55 0.00 0.00 0.00 176.54 176.21 2wet h ASP 494 N -0.00 0.10 0.19 0.19 3.32 -1.23 -2.44 116.42 116.56 2wet h ASP 494 Ca 0.03 0.11 -0.14 0.00 0.02 0.00 0.00 57.03 57.05 2wet h ASP 494 Cb 0.15 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2wet h ASP 494 CO -0.00 0.05 -0.53 -0.33 -1.72 0.00 0.00 179.24 176.70 2wet h GLU 495 N 0.33 0.37 -0.07 3.56 5.08 -1.24 -3.08 114.58 119.52 2wet h GLU 495 Ca 0.35 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2wet h GLU 495 Cb 0.51 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2wet h GLU 495 CO -0.40 0.81 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.21 2wet h LEU 496 N 0.29 0.25 -1.69 1.33 3.38 -0.94 -2.42 115.31 115.50 2wet h LEU 496 Ca 0.01 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.38 2wet h LEU 496 Cb 1.03 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 2wet h LEU 496 CO 0.09 0.77 -0.15 0.16 0.09 0.00 0.00 178.44 179.39 2wet h ILE 497 N -0.27 0.56 -0.02 1.22 3.07 -1.53 0.94 117.51 121.48 2wet h ILE 497 Ca 0.00 -0.71 -0.18 0.00 1.55 0.00 0.00 64.86 65.52 2wet h ILE 497 Cb 0.72 1.47 -0.01 0.00 -0.27 0.00 0.00 36.82 38.73 2wet h ILE 497 CO 0.03 0.15 -0.79 0.00 -1.05 0.00 0.00 178.15 176.49 2wet h ALA 498 N 1.85 0.63 0.00 0.16 0.00 -1.49 -3.38 119.26 117.03 2wet h ALA 498 Ca -0.00 -0.67 -0.35 0.00 0.00 0.00 0.00 54.91 53.89 2wet h ALA 498 Cb 0.46 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 2wet h ALA 498 CO 0.02 0.86 -2.20 0.00 0.00 0.00 0.00 179.25 177.93 2wet n ALA 499 N -2.46 1.48 -1.78 0.00 0.00 -0.74 -4.97 120.51 112.05 2wet n ALA 499 Ca -0.03 -1.16 -0.37 0.00 0.00 0.00 0.00 53.44 51.88 2wet n ALA 499 Cb 0.75 -0.37 -0.06 0.00 0.00 0.00 0.00 19.45 19.77 2wet n ALA 499 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wet s LEU 500 N -5.73 4.33 0.82 0.00 1.43 0.25 -4.92 118.68 114.86 2wet s LEU 500 Ca -0.10 1.90 -0.12 0.00 -1.03 0.00 0.00 54.13 54.78 2wet s LEU 500 Cb 0.07 -4.01 0.09 0.00 0.03 0.00 0.00 46.19 42.36 2wet s LEU 500 CO 0.82 -0.14 1.16 -2.16 0.23 0.00 0.00 176.35 176.26 2wet s PRO 501 N -2.07 1.86 0.92 1.29 0.04 -1.26 -4.89 135.00 130.89 2wet s PRO 501 Ca 0.51 0.21 -0.11 0.00 0.04 0.00 0.00 61.00 61.64 2wet s PRO 501 Cb -0.20 -1.93 0.14 0.00 0.04 0.00 0.00 34.50 32.55 2wet s PRO 501 CO 0.26 -1.68 1.09 -1.54 0.04 0.00 0.00 177.00 175.16 2wet s SER 502 N -4.40 3.26 0.15 6.66 1.04 -1.26 -1.57 113.70 117.58 2wet s SER 502 Ca 0.62 1.56 -0.18 0.00 0.48 0.00 0.00 55.95 58.43 2wet s SER 502 Cb -0.12 -2.23 0.05 0.00 0.10 0.00 0.00 66.02 63.81 2wet s SER 502 CO 0.50 -2.79 1.69 0.00 0.98 0.00 0.00 173.24 173.63 2wet h TYR 504 N 0.03 0.56 -0.40 0.00 3.20 -1.81 -2.79 116.97 115.76 2wet h TYR 504 Ca 0.15 -0.12 0.08 0.00 3.14 0.00 0.00 58.73 61.99 2wet h TYR 504 Cb 0.22 -0.14 -0.09 0.00 1.54 0.00 0.00 36.73 38.27 2wet h TYR 504 CO -0.27 0.70 -0.19 0.93 -1.64 0.00 0.00 178.16 177.69 2wet h GLU 505 N 0.26 -0.11 -0.49 1.82 5.08 -1.85 0.34 114.58 119.63 2wet h GLU 505 Ca 0.07 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2wet h GLU 505 Cb 0.51 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2wet h GLU 505 CO 0.02 -0.07 0.12 -0.92 -1.00 0.00 0.00 179.01 177.16 2wet h TYR 506 N -0.12 0.81 -0.68 4.33 3.20 -1.40 -2.17 116.97 120.94 2wet h TYR 506 Ca 0.20 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 2wet h TYR 506 Cb 0.42 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 2wet h TYR 506 CO -0.43 0.73 0.19 -0.07 -1.64 0.00 0.00 178.16 176.94 2wet h LEU 507 N 0.66 0.99 -0.92 2.82 3.38 -1.09 -2.21 115.31 118.94 2wet h LEU 507 Ca 0.15 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2wet h LEU 507 Cb 0.32 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 2wet h LEU 507 CO 0.00 0.94 0.58 0.00 0.09 0.00 0.00 178.44 180.05 2wet h ALA 508 N 1.19 1.24 0.00 1.53 0.00 -0.08 -2.62 119.26 120.52 2wet h ALA 508 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2wet h ALA 508 Cb 0.32 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2wet h ALA 508 CO -0.00 0.39 0.00 0.66 0.00 0.00 0.00 179.25 180.30 2wet h SER 509 N 1.09 0.00 -0.02 0.00 4.64 -0.76 -2.87 113.55 115.64 2wet h SER 509 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2wet h SER 509 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2wet h SER 509 CO -0.15 0.00 -0.06 2.30 -0.87 0.00 0.00 176.83 178.05 2wet n ILE 510 N -2.52 0.00 0.92 0.95 -5.35 -1.01 -5.11 119.36 107.23 2wet n ILE 510 Ca 0.02 -0.47 0.07 0.00 -0.27 0.00 0.00 62.75 62.10 2wet n ILE 510 Cb 0.26 1.26 0.43 0.00 -1.74 0.00 0.00 39.64 39.86 2wet n ILE 510 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79