#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 4.24 -0.16 1.12 -4.36 -1.26 -4.75 121.20 116.03 2wet s ILE 2 Ca 0.00 1.83 0.13 0.00 -0.26 0.00 0.00 60.65 62.35 2wet s ILE 2 Cb 0.00 -4.14 -0.18 0.00 1.25 0.00 0.00 42.46 39.38 2wet s ILE 2 CO 0.00 0.37 0.04 -1.14 0.24 0.00 0.00 174.94 174.45 2wet n ARG 3 N 1.17 1.41 -4.15 0.37 0.63 -1.26 -4.95 116.66 109.87 2wet n ARG 3 Ca -0.02 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.76 2wet n ARG 3 Cb 0.49 -1.39 -0.14 0.00 0.45 0.00 0.00 32.46 31.86 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 -4.97 0.66 -0.05 6.15 1.04 -1.26 -0.33 113.70 114.93 2wet s SER 4 Ca -0.09 -0.16 0.05 0.00 0.48 0.00 0.00 55.95 56.23 2wet s SER 4 Cb 0.05 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.11 2wet s SER 4 CO 0.62 0.03 -0.21 -0.69 0.98 0.00 0.00 173.24 173.96 2wet s VAL 5 N -0.29 1.77 -0.18 5.02 1.01 0.82 -1.00 120.40 127.55 2wet s VAL 5 Ca 0.00 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 2wet s VAL 5 Cb -0.03 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.85 2wet s VAL 5 CO -0.00 0.50 -0.16 -0.69 0.00 0.00 0.00 175.10 174.74 2wet s VAL 6 N -0.03 2.40 -0.20 2.92 1.01 0.09 -0.95 120.40 125.64 2wet s VAL 6 Ca -0.05 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.02 2wet s VAL 6 Cb -0.13 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 2wet s VAL 6 CO 0.03 0.51 0.10 -0.63 0.00 0.00 0.00 175.10 175.11 2wet s ILE 7 N 1.26 5.02 -0.34 2.22 1.01 0.53 -0.94 121.20 129.96 2wet s ILE 7 Ca 0.04 0.05 -0.07 0.00 0.00 0.00 0.00 60.65 60.67 2wet s ILE 7 Cb -0.14 -3.29 0.04 0.00 0.01 0.00 0.00 42.46 39.08 2wet s ILE 7 CO -0.09 0.43 0.12 -0.69 0.00 0.00 0.00 174.94 174.71 2wet s VAL 8 N 0.53 3.88 0.00 2.92 1.01 -0.67 -0.21 120.40 127.86 2wet s VAL 8 Ca 0.05 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.93 2wet s VAL 8 Cb -0.12 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2wet s VAL 8 CO 0.00 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.53 2wet n GLY 9 N 4.83 3.59 2.25 4.51 0.00 0.12 -0.47 105.19 120.01 2wet n GLY 9 Ca -0.12 -1.45 -0.25 0.00 0.00 0.00 0.00 46.02 44.20 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 0.16 3.36 0.00 -0.02 0.00 -1.26 -4.14 105.19 103.28 2wet n GLY 10 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 1.24 5.02 0.27 -0.02 0.00 -1.26 -4.82 105.19 105.62 2wet n GLY 11 Ca 0.23 -1.71 -0.03 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 1.08 -0.26 2.61 2.02 -1.96 -0.83 112.91 115.57 2wet h THR 12 Ca 0.00 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 2wet h THR 12 Cb 0.00 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 2wet h THR 12 CO 0.00 0.15 0.00 0.00 0.37 0.00 0.00 175.52 176.04 2wet h ALA 13 N 1.30 0.35 0.27 6.16 0.00 -1.92 -0.45 119.26 124.97 2wet h ALA 13 Ca 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2wet h ALA 13 Cb 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2wet h ALA 13 CO -0.12 0.08 -0.13 0.78 0.00 0.00 0.00 179.25 179.86 2wet h GLY 14 N 0.24 -0.39 2.00 0.00 0.00 -1.68 -2.12 103.07 101.13 2wet h GLY 14 Ca 0.07 0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.44 2wet h GLY 14 CO 0.01 -0.14 -0.53 1.49 0.00 0.00 0.00 176.54 177.38 2wet h TRP 15 N -0.61 0.00 -0.62 5.60 4.06 -1.19 -1.33 115.95 121.86 2wet h TRP 15 Ca -0.04 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.85 2wet h TRP 15 Cb 0.44 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.57 2wet h TRP 15 CO 0.00 0.53 0.15 0.52 -3.56 0.00 0.00 178.44 176.09 2wet h MET 16 N 0.00 0.98 -0.25 0.49 2.86 -1.06 -1.29 114.93 116.67 2wet h MET 16 Ca -0.01 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.37 2wet h MET 16 Cb 1.13 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 2wet h MET 16 CO 0.07 0.89 0.04 1.15 1.06 0.00 0.00 176.91 180.12 2wet h THR 17 N 0.90 1.23 -0.35 2.22 2.02 -1.08 -1.60 112.91 116.26 2wet h THR 17 Ca 0.19 -0.78 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 2wet h THR 17 Cb 0.35 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 2wet h THR 17 CO 0.00 0.25 0.16 0.00 0.37 0.00 0.00 175.52 176.29 2wet h ALA 18 N 0.85 0.45 0.09 6.16 0.00 -1.21 -2.25 119.26 123.34 2wet h ALA 18 Ca 0.07 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2wet h ALA 18 Cb 0.34 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2wet h ALA 18 CO 0.01 0.02 -0.20 0.77 0.00 0.00 0.00 179.25 179.85 2wet h SER 19 N 0.42 -0.55 -0.35 0.00 0.02 -1.13 -2.60 113.55 109.35 2wet h SER 19 Ca 0.12 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 2wet h SER 19 Cb 0.15 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 2wet h SER 19 CO -0.01 -0.28 0.14 0.22 -1.14 0.00 0.00 176.83 175.76 2wet h TYR 20 N -0.36 0.58 -0.16 3.45 3.20 -1.20 -0.04 116.97 122.45 2wet h TYR 20 Ca 0.03 -0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.67 2wet h TYR 20 Cb 0.39 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.49 2wet h TYR 20 CO -0.20 0.48 -0.71 -0.07 -1.64 0.00 0.00 178.16 176.02 2wet h LEU 21 N 0.58 0.81 -0.45 2.82 3.38 -1.28 0.16 115.31 121.32 2wet h LEU 21 Ca 0.14 -0.50 -0.14 0.00 0.09 0.00 0.00 57.88 57.46 2wet h LEU 21 Cb 0.16 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2wet h LEU 21 CO -0.01 1.28 -0.29 0.11 0.09 0.00 0.00 178.44 179.62 2wet h LYS 22 N 0.49 0.98 -0.60 1.13 1.79 -1.13 0.25 116.57 119.48 2wet h LYS 22 Ca -0.03 -0.46 -0.07 0.00 -2.18 0.00 0.00 60.65 57.91 2wet h LYS 22 Cb 1.31 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.93 2wet h LYS 22 CO 0.14 1.13 0.11 0.00 -1.08 0.00 0.00 179.45 179.75 2wet h ALA 23 N 0.83 0.80 -0.02 3.86 0.00 -0.88 0.29 119.26 124.14 2wet h ALA 23 Ca 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2wet h ALA 23 Cb 0.88 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2wet h ALA 23 CO 0.08 0.54 -0.01 0.00 0.00 0.00 0.00 179.25 179.86 2wet h ALA 24 N 1.02 0.03 -0.00 0.00 0.00 -0.57 -3.37 119.26 116.36 2wet h ALA 24 Ca 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wet h ALA 24 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2wet h ALA 24 CO 0.01 -0.26 -0.20 1.19 0.00 0.00 0.00 179.25 179.99 2wet n PHE 25 N -4.86 0.00 0.00 0.00 3.72 0.07 -5.06 117.46 111.32 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 0.22 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 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 -0.62 0.00 -0.69 4.37 2.03 0.10 -0.19 116.55 121.55 2wet n ASP 26 Ca 0.02 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.37 2wet n ASP 26 Cb 0.13 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 40.67 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 4.11 1.96 -1.63 1.67 5.75 -1.26 -3.56 116.55 123.59 2wet n ASP 27 Ca 0.00 -2.11 0.07 0.00 -0.01 0.00 0.00 54.79 52.74 2wet n ASP 27 Cb 0.00 -0.31 0.34 0.00 -1.03 0.00 0.00 41.12 40.12 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 0.33 4.11 -3.68 0.11 1.74 0.73 -4.83 116.66 115.16 2wet n ARG 28 Ca 0.10 -2.65 -0.11 0.00 -0.77 0.00 0.00 57.85 54.42 2wet n ARG 28 Cb 0.36 -2.07 -0.09 0.00 -1.02 0.00 0.00 32.46 29.64 2wet n ARG 28 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2wet s ILE 29 N -2.33 -0.01 -0.15 0.55 1.10 -1.23 -4.94 121.20 114.19 2wet s ILE 29 Ca 0.46 0.03 -0.14 0.00 -0.51 0.00 0.00 60.65 60.49 2wet s ILE 29 Cb 0.34 -0.75 -0.05 0.00 0.15 0.00 0.00 42.46 42.15 2wet s ILE 29 CO 0.16 0.01 0.32 -1.81 -2.11 0.00 0.00 174.94 171.51 2wet s ASP 30 N 0.86 6.47 -0.07 4.50 1.01 0.55 -4.87 116.67 125.12 2wet s ASP 30 Ca -0.05 0.55 0.03 0.00 0.71 0.00 0.00 52.55 53.79 2wet s ASP 30 Cb -0.05 -2.20 0.01 0.00 1.01 0.00 0.00 42.92 41.69 2wet s ASP 30 CO -0.07 0.09 -0.15 -0.69 0.21 0.00 0.00 175.17 174.56 2wet s VAL 31 N 0.46 1.32 -0.04 -1.27 1.01 -1.26 -0.12 120.40 120.49 2wet s VAL 31 Ca 0.18 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.62 2wet s VAL 31 Cb -0.13 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 2wet s VAL 31 CO 0.05 0.39 -0.19 -0.89 0.00 0.00 0.00 175.10 174.46 2wet s THR 32 N 0.56 1.57 -0.14 3.92 2.01 -0.13 -1.62 115.64 121.82 2wet s THR 32 Ca -0.15 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.07 2wet s THR 32 Cb -0.16 -1.34 0.02 0.00 0.01 0.00 0.00 72.50 71.03 2wet s THR 32 CO 0.05 0.45 -0.19 -0.22 -0.69 0.00 0.00 174.62 174.02 2wet s LEU 33 N -0.09 1.94 -0.22 4.42 0.20 0.22 -0.35 118.68 124.81 2wet s LEU 33 Ca -0.02 -0.55 -0.06 0.00 0.69 0.00 0.00 54.13 54.19 2wet s LEU 33 Cb -0.11 -1.31 -0.03 0.00 -0.43 0.00 0.00 46.19 44.31 2wet s LEU 33 CO 0.02 0.03 0.04 -0.69 -0.29 0.00 0.00 176.35 175.45 2wet s VAL 34 N 1.06 4.20 0.03 1.68 1.01 0.71 -1.28 120.40 127.80 2wet s VAL 34 Ca -0.03 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.76 2wet s VAL 34 Cb -0.14 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 2wet s VAL 34 CO -0.05 0.39 -0.08 -1.83 0.00 0.00 0.00 175.10 173.53 2wet s GLU 35 N 1.18 0.57 0.62 2.72 -1.05 -0.67 0.10 118.70 122.18 2wet s GLU 35 Ca 0.04 -0.63 -0.16 0.00 -0.15 0.00 0.00 54.97 54.07 2wet s GLU 35 Cb -0.14 -0.43 -0.02 0.00 -0.44 0.00 0.00 34.13 33.09 2wet s GLU 35 CO 0.02 0.10 1.10 0.45 0.95 0.00 0.00 175.26 177.88 2wet s SER 36 N -1.17 5.39 -0.03 0.83 0.15 -1.16 -1.35 113.70 116.35 2wet s SER 36 Ca -0.05 1.97 0.05 0.00 0.70 0.00 0.00 55.95 58.62 2wet s SER 36 Cb -0.08 -2.55 -0.25 0.00 -1.71 0.00 0.00 66.02 61.44 2wet s SER 36 CO 0.00 -1.44 0.70 1.23 1.20 0.00 0.00 173.24 174.93 2wet h GLY 37 N 0.32 0.13 0.00 9.45 0.00 -1.88 -3.44 103.07 107.64 2wet h GLY 37 Ca -0.47 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.54 2wet h GLY 37 CO 0.55 0.28 -0.13 1.16 0.00 0.00 0.00 176.54 178.41 2wet n ASN 38 N -3.25 0.37 -4.38 0.19 0.23 -1.26 -4.90 115.26 102.26 2wet n ASN 38 Ca -0.18 0.27 -0.50 0.00 -0.53 0.00 0.00 54.58 53.63 2wet n ASN 38 Cb 1.04 -0.57 -0.13 0.00 -2.08 0.00 0.00 39.78 38.04 2wet n ASN 38 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 2wet n VAL 39 N -2.77 0.01 -2.40 3.53 0.31 -1.26 -4.85 118.33 110.89 2wet n VAL 39 Ca -0.02 -0.03 -0.38 0.00 -0.01 0.00 0.00 64.34 63.90 2wet n VAL 39 Cb 0.07 -0.61 -0.03 0.00 -0.91 0.00 0.00 33.84 32.36 2wet n VAL 39 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2wet s ARG 40 N 7.41 4.25 0.94 5.55 6.06 -1.26 -4.80 118.95 137.10 2wet s ARG 40 Ca 1.26 1.76 -0.10 0.00 -2.50 0.00 0.00 55.73 56.15 2wet s ARG 40 Cb -1.33 -2.79 0.16 0.00 0.06 0.00 0.00 34.95 31.05 2wet s ARG 40 CO 0.57 -0.13 1.13 1.03 -2.50 0.00 0.00 175.30 175.40 2wet s ARG 41 N -2.11 0.83 0.34 5.12 0.52 -1.26 -4.91 118.95 117.48 2wet s ARG 41 Ca 0.54 1.47 0.12 0.00 -0.52 0.00 0.00 55.73 57.34 2wet s ARG 41 Cb -0.29 -1.71 0.94 0.00 0.52 0.00 0.00 34.95 34.41 2wet s ARG 41 CO 0.37 -2.74 1.73 0.97 0.02 0.00 0.00 175.30 175.65 2wet h ILE 42 N -1.94 0.51 0.00 1.52 6.09 -2.00 -3.46 117.51 118.23 2wet h ILE 42 Ca -0.45 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 62.86 2wet h ILE 42 Cb 1.27 -0.06 0.00 0.00 0.47 0.00 0.00 36.82 38.50 2wet h ILE 42 CO 0.43 0.10 0.00 0.61 -3.07 0.00 0.00 178.15 176.21 2wet n GLY 43 N -1.34 1.77 3.34 8.18 0.00 -1.26 -5.03 105.19 110.85 2wet n GLY 43 Ca 0.27 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.11 2wet n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wet s VAL 44 N -2.43 1.68 0.00 1.61 -7.23 -1.26 -4.85 120.40 107.91 2wet s VAL 44 Ca 0.00 -2.19 0.00 0.00 -1.81 0.00 0.00 61.98 57.98 2wet s VAL 44 Cb 0.00 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.87 2wet s VAL 44 CO 0.00 -0.58 0.00 0.61 -0.31 0.00 0.00 175.10 174.82 2wet n GLY 45 N -0.38 0.09 0.25 2.32 0.00 -1.26 -4.96 105.19 101.25 2wet n GLY 45 Ca -0.08 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 45.83 2wet n GLY 45 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2wet n GLU 46 N 0.00 0.97 -4.42 1.61 0.28 -1.26 -4.53 120.64 113.30 2wet n GLU 46 Ca 0.00 -1.19 -0.25 0.00 -0.16 0.00 0.00 57.16 55.57 2wet n GLU 46 Cb 0.00 -1.11 -0.11 0.00 1.43 0.00 0.00 31.44 31.65 2wet n GLU 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2wet s ALA 47 N -0.66 2.47 0.35 -1.84 0.00 -1.26 -0.99 121.76 119.83 2wet s ALA 47 Ca 0.08 -1.68 0.05 0.00 0.00 0.00 0.00 51.96 50.41 2wet s ALA 47 Cb 0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 2wet s ALA 47 CO 0.07 0.33 0.20 0.95 0.00 0.00 0.00 175.76 177.31 2wet s THR 48 N -2.04 0.28 0.40 0.00 -4.23 -0.78 -4.69 115.64 104.57 2wet s THR 48 Ca 0.22 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.69 2wet s THR 48 Cb -0.06 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 2wet s THR 48 CO 0.10 0.00 0.68 -0.36 -0.54 0.00 0.00 174.62 174.51 2wet s PHE 49 N -3.41 3.52 0.45 3.99 0.40 -1.26 -4.53 117.98 117.14 2wet s PHE 49 Ca 0.33 0.71 0.12 0.00 -0.60 0.00 0.00 56.93 57.50 2wet s PHE 49 Cb 0.03 -2.19 1.02 0.00 0.51 0.00 0.00 43.02 42.38 2wet s PHE 49 CO 0.20 -0.07 2.05 0.66 0.70 0.00 0.00 175.22 178.76 2wet h SER 50 N 0.81 0.17 0.34 1.36 4.64 -1.91 -2.17 113.55 116.78 2wet h SER 50 Ca -0.48 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2wet h SER 50 Cb 1.20 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2wet h SER 50 CO 0.63 0.20 0.00 0.35 -0.87 0.00 0.00 176.83 177.14 2wet n THR 51 N -4.43 0.63 0.25 2.95 -2.24 -1.26 -1.96 114.28 108.21 2wet n THR 51 Ca -0.01 0.16 0.18 0.00 -2.27 0.00 0.00 64.05 62.11 2wet n THR 51 Cb 0.15 -0.90 0.89 0.00 -2.10 0.00 0.00 70.33 68.37 2wet n THR 51 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2wet h VAL 52 N 0.00 0.32 -0.96 2.28 3.04 -1.78 -2.04 116.25 117.11 2wet h VAL 52 Ca 0.00 0.00 0.24 0.00 -1.01 0.00 0.00 66.70 65.93 2wet h VAL 52 Cb 0.17 0.83 -0.13 0.00 -2.01 0.00 0.00 31.29 30.15 2wet h VAL 52 CO 0.00 0.00 0.51 -0.09 -1.01 0.00 0.00 177.57 176.98 2wet h ARG 53 N 0.00 0.47 -0.23 4.17 2.43 -1.62 -0.83 114.38 118.77 2wet h ARG 53 Ca 0.06 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 2wet h ARG 53 Cb 0.45 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2wet h ARG 53 CO -0.00 0.31 -0.17 0.45 -1.51 0.00 0.00 179.97 179.05 2wet h HIS 54 N 0.48 0.41 0.13 2.20 3.86 -1.62 -0.97 115.15 119.64 2wet h HIS 54 Ca 0.62 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.76 2wet h HIS 54 Cb 1.21 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.57 2wet h HIS 54 CO -0.06 0.54 -0.06 0.35 0.86 0.00 0.00 177.93 179.55 2wet h PHE 55 N 0.35 -0.16 -0.49 2.45 3.57 -1.32 -0.25 116.94 121.08 2wet h PHE 55 Ca 0.06 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.60 2wet h PHE 55 Cb 0.50 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 2wet h PHE 55 CO 0.01 0.27 0.25 0.74 -2.23 0.00 0.00 178.31 177.35 2wet h PHE 56 N -0.68 0.45 -0.61 0.41 0.04 -1.32 -1.78 116.94 113.46 2wet h PHE 56 Ca -0.02 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.80 2wet h PHE 56 Cb 0.51 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 38.49 2wet h PHE 56 CO 0.08 0.22 0.37 -0.44 -0.60 0.00 0.00 178.31 177.94 2wet h ASP 57 N 0.48 0.61 -0.95 2.17 3.32 -1.21 -1.38 116.42 119.47 2wet h ASP 57 Ca 0.22 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.43 2wet h ASP 57 Cb 0.13 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.47 2wet h ASP 57 CO -0.15 0.42 0.60 0.22 -1.72 0.00 0.00 179.24 178.61 2wet h TYR 58 N 0.73 0.89 0.00 4.55 3.20 -0.54 -0.00 116.97 125.81 2wet h TYR 58 Ca 0.24 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.14 2wet h TYR 58 Cb 0.02 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.01 2wet h TYR 58 CO -0.05 0.28 0.00 -0.07 -1.64 0.00 0.00 178.16 176.68 2wet h LEU 59 N 0.71 0.00 -0.04 2.82 4.07 -0.51 -3.45 115.31 118.91 2wet h LEU 59 Ca 0.50 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.46 2wet h LEU 59 Cb 0.81 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.55 2wet h LEU 59 CO -0.26 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.71 2wet n GLY 60 N 0.63 0.98 3.66 0.83 0.00 -0.01 -5.04 105.19 106.24 2wet n GLY 60 Ca 0.03 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.04 3.78 -0.08 0.99 1.43 -0.60 -5.02 118.68 119.15 2wet s LEU 61 Ca 0.00 0.12 -0.09 0.00 -1.03 0.00 0.00 54.13 53.13 2wet s LEU 61 Cb 0.00 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 2wet s LEU 61 CO 0.00 0.24 0.21 -0.62 0.23 0.00 0.00 176.35 176.41 2wet s ASP 62 N -0.05 6.49 0.19 2.29 2.15 -1.26 -4.38 116.67 122.10 2wet s ASP 62 Ca 0.06 0.59 -0.12 0.00 0.43 0.00 0.00 52.55 53.50 2wet s ASP 62 Cb -0.12 -2.11 0.12 0.00 -0.30 0.00 0.00 42.92 40.51 2wet s ASP 62 CO 0.01 0.38 1.84 1.05 -0.17 0.00 0.00 175.17 178.28 2wet h GLU 63 N 4.85 0.74 -0.27 4.34 4.11 -1.99 -0.35 114.58 126.01 2wet h GLU 63 Ca -0.54 -0.04 0.08 0.00 0.07 0.00 0.00 59.36 58.93 2wet h GLU 63 Cb 1.23 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2wet h GLU 63 CO 0.59 0.49 0.59 0.00 0.07 0.00 0.00 179.01 180.75 2wet h ARG 64 N 0.76 0.00 0.03 1.06 3.08 -1.95 0.62 114.38 117.98 2wet h ARG 64 Ca 0.23 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.90 2wet h ARG 64 Cb -0.03 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 2wet h ARG 64 CO -0.08 0.00 -2.23 -1.91 -1.07 0.00 0.00 179.97 174.68 2wet n GLU 65 N -3.15 0.65 -0.07 0.04 2.13 -0.17 -4.61 120.64 115.46 2wet n GLU 65 Ca 0.05 0.26 -0.22 0.00 0.66 0.00 0.00 57.16 57.90 2wet n GLU 65 Cb 0.71 -1.59 -0.12 0.00 0.27 0.00 0.00 31.44 30.71 2wet n GLU 65 CO 0.00 0.00 0.00 -2.67 -0.41 0.00 0.00 177.13 174.05 2wet n TRP 66 N -3.69 0.78 -0.24 4.31 4.27 -0.68 -4.36 117.44 117.83 2wet n TRP 66 Ca -0.43 0.23 0.04 0.00 -3.89 0.00 0.00 57.50 53.45 2wet n TRP 66 Cb 0.94 -1.09 0.14 0.00 -1.36 0.00 0.00 31.31 29.94 2wet n TRP 66 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 2wet h LEU 67 N -0.43 -0.28 -1.23 5.67 5.85 -1.17 0.24 115.31 123.96 2wet h LEU 67 Ca -0.47 0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.35 2wet h LEU 67 Cb 1.73 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 43.05 2wet h LEU 67 CO -0.11 -0.14 -0.24 -0.65 -0.34 0.00 0.00 178.44 176.95 2wet h PRO 68 N 0.13 0.22 0.00 5.25 0.11 -1.81 0.29 132.00 136.19 2wet h PRO 68 Ca 0.39 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.36 2wet h PRO 68 Cb 0.67 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 2wet h PRO 68 CO -0.61 0.46 -0.32 -0.09 -0.21 0.00 0.00 178.00 177.23 2wet h ARG 69 N 0.20 0.00 -0.82 1.05 2.43 -0.76 -2.91 114.38 113.57 2wet h ARG 69 Ca 0.03 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.86 2wet h ARG 69 Cb 0.55 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 29.89 2wet h ARG 69 CO 0.04 0.32 0.41 0.00 -1.51 0.00 0.00 179.97 179.23 2wet n ALA 71 N -0.69 -0.90 -1.68 0.00 0.00 -1.10 -1.12 120.51 115.02 2wet n ALA 71 Ca 0.49 0.11 -0.31 0.00 0.00 0.00 0.00 53.44 53.73 2wet n ALA 71 Cb 1.49 -2.22 0.03 0.00 0.00 0.00 0.00 19.45 18.75 2wet n ALA 71 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wet s GLY 72 N -2.35 1.73 0.18 0.00 0.00 0.04 -0.60 107.32 106.32 2wet s GLY 72 Ca 0.18 0.07 0.03 0.00 0.00 0.00 0.00 44.72 45.00 2wet s GLY 72 CO 0.22 0.36 0.12 0.61 0.00 0.00 0.00 173.10 174.42 2wet n GLY 73 N -2.10 3.52 3.74 0.20 0.00 0.13 -3.81 105.19 106.87 2wet n GLY 73 Ca 0.07 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.59 3.13 -0.11 1.61 1.51 -1.26 -1.07 117.35 118.58 2wet s TYR 74 Ca 0.18 0.06 -0.01 0.00 -1.01 0.00 0.00 57.07 56.29 2wet s TYR 74 Cb 0.01 -1.62 0.03 0.00 -0.11 0.00 0.00 41.96 40.27 2wet s TYR 74 CO 0.12 0.51 -0.06 0.21 -1.11 0.00 0.00 175.55 175.22 2wet s LYS 75 N -2.20 1.35 0.00 -0.62 2.20 0.28 -3.64 119.74 117.10 2wet s LYS 75 Ca 0.27 -0.20 0.17 0.00 -0.36 0.00 0.00 55.97 55.84 2wet s LYS 75 Cb -0.12 -1.50 -0.15 0.00 -1.51 0.00 0.00 37.83 34.55 2wet s LYS 75 CO 0.19 -0.29 0.77 1.28 -0.36 0.00 0.00 175.35 176.94 2wet n LEU 76 N 4.98 1.01 0.00 5.43 4.77 0.11 0.08 117.00 133.38 2wet n LEU 76 Ca -0.11 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 2wet n LEU 76 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2wet n LEU 76 CO 0.15 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2wet n GLY 77 N 1.36 -0.77 3.24 -0.72 0.00 -1.26 -1.71 105.19 105.33 2wet n GLY 77 Ca 0.04 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 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 1.93 -0.26 -0.61 1.01 0.54 -2.17 121.20 118.64 2wet s ILE 78 Ca 0.00 -1.00 -0.16 0.00 0.00 0.00 0.00 60.65 59.49 2wet s ILE 78 Cb 0.00 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 2wet s ILE 78 CO 0.00 0.54 0.43 -0.60 0.00 0.00 0.00 174.94 175.31 2wet s ARG 79 N -0.12 4.05 -0.40 2.79 3.52 0.28 -0.04 118.95 129.04 2wet s ARG 79 Ca -0.04 0.17 -0.13 0.00 -0.13 0.00 0.00 55.73 55.60 2wet s ARG 79 Cb -0.13 -3.64 0.03 0.00 -1.56 0.00 0.00 34.95 29.64 2wet s ARG 79 CO 0.03 -0.28 0.27 -0.06 -0.81 0.00 0.00 175.30 174.45 2wet s PHE 80 N 2.09 3.25 -0.13 5.12 0.08 -0.16 0.33 117.98 128.55 2wet s PHE 80 Ca 0.18 -0.79 -0.04 0.00 0.12 0.00 0.00 56.93 56.39 2wet s PHE 80 Cb -0.16 -2.57 -0.03 0.00 -0.57 0.00 0.00 43.02 39.69 2wet s PHE 80 CO 0.09 -0.64 0.01 -1.21 -0.10 0.00 0.00 175.22 173.38 2wet s GLU 81 N 1.62 3.45 -0.44 0.44 2.02 -0.23 -2.90 118.70 122.65 2wet s GLU 81 Ca 0.04 -0.41 0.00 0.00 0.02 0.00 0.00 54.97 54.62 2wet s GLU 81 Cb -0.20 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 31.08 2wet s GLU 81 CO 0.08 0.47 0.00 0.09 0.02 0.00 0.00 175.26 175.92 2wet n ASN 82 N 2.88 -4.66 0.18 -0.19 3.02 -0.45 -0.79 115.26 115.25 2wet n ASN 82 Ca -0.18 0.10 0.03 0.00 -0.03 0.00 0.00 54.58 54.51 2wet n ASN 82 Cb 0.53 -2.53 0.34 0.00 -0.61 0.00 0.00 39.78 37.51 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 -0.09 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.86 2wet h TRP 83 Cb 0.66 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.82 2wet h TRP 83 CO 0.36 0.41 0.00 0.43 -3.56 0.00 0.00 178.44 176.08 2wet n SER 84 N -3.84 0.00 -4.75 -3.49 7.64 -1.26 -2.86 113.62 105.07 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 0.47 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.67 4.27 0.33 1.43 0.41 -1.26 -4.01 118.70 120.53 2wet s GLU 85 Ca 0.00 2.31 -0.29 0.00 -0.41 0.00 0.00 54.97 56.58 2wet s GLU 85 Cb 0.00 -3.09 -0.10 0.00 -1.78 0.00 0.00 34.13 29.15 2wet s GLU 85 CO 0.00 -0.39 1.33 -2.14 -0.49 0.00 0.00 175.26 173.57 2wet s PRO 86 N -0.72 4.33 0.00 0.39 0.02 -1.26 -2.47 135.00 135.28 2wet s PRO 86 Ca 0.57 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.84 2wet s PRO 86 Cb -0.42 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.03 2wet s PRO 86 CO 0.46 -0.24 0.00 0.41 -0.33 0.00 0.00 177.00 177.30 2wet n GLY 87 N 0.92 2.89 3.87 0.52 0.00 -1.26 -5.01 105.19 107.12 2wet n GLY 87 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 3.78 0.22 1.61 2.02 -1.03 -4.89 118.70 120.41 2wet s GLU 88 Ca 0.00 0.21 -0.05 0.00 0.02 0.00 0.00 54.97 55.15 2wet s GLU 88 Cb 0.00 -2.87 -0.03 0.00 0.10 0.00 0.00 34.13 31.33 2wet s GLU 88 CO 0.00 0.46 0.24 1.52 0.02 0.00 0.00 175.26 177.50 2wet s TYR 89 N -1.57 0.92 0.17 1.61 -0.85 -1.26 -1.35 117.35 115.02 2wet s TYR 89 Ca 0.39 -1.18 -0.21 0.00 -0.52 0.00 0.00 57.07 55.55 2wet s TYR 89 Cb -0.13 -0.33 0.05 0.00 0.38 0.00 0.00 41.96 41.93 2wet s TYR 89 CO 0.20 -0.75 0.57 -0.59 -1.52 0.00 0.00 175.55 173.46 2wet s PHE 90 N -4.11 -0.39 -0.06 -3.49 -0.12 -1.14 -5.00 117.98 103.66 2wet s PHE 90 Ca 0.34 0.12 -0.03 0.00 -0.05 0.00 0.00 56.93 57.31 2wet s PHE 90 Cb 0.05 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.91 2wet s PHE 90 CO 0.11 -0.88 0.08 0.71 -0.05 0.00 0.00 175.22 175.19 2wet s TYR 91 N -3.79 3.34 -0.38 3.49 2.02 -1.26 -0.98 117.35 119.78 2wet s TYR 91 Ca 0.04 0.30 -0.12 0.00 -0.37 0.00 0.00 57.07 56.91 2wet s TYR 91 Cb -0.01 -1.81 0.03 0.00 -0.40 0.00 0.00 41.96 39.76 2wet s TYR 91 CO -0.09 0.58 0.23 -1.58 -1.57 0.00 0.00 175.55 173.11 2wet s HIS 92 N -1.06 3.24 0.30 2.71 5.65 0.95 -4.85 115.29 122.24 2wet s HIS 92 Ca 0.18 -0.90 0.07 0.00 0.25 0.00 0.00 55.06 54.66 2wet s HIS 92 Cb -0.12 -2.47 -0.03 0.00 -1.18 0.00 0.00 32.58 28.78 2wet s HIS 92 CO 0.08 -0.64 0.29 -1.25 -0.65 0.00 0.00 174.74 172.56 2wet s PRO 93 N 1.58 2.89 -1.33 2.88 0.04 -1.26 -0.34 135.00 139.45 2wet s PRO 93 Ca 0.03 -1.14 -0.11 0.00 0.04 0.00 0.00 61.00 59.81 2wet s PRO 93 Cb -0.19 -2.58 0.12 0.00 0.04 0.00 0.00 34.50 31.90 2wet s PRO 93 CO 0.07 0.22 1.96 1.19 0.04 0.00 0.00 177.00 180.49 2wet n PHE 94 N -1.34 3.26 -3.67 0.56 3.72 -0.69 -4.87 117.46 114.43 2wet n PHE 94 Ca -0.04 -2.88 -0.09 0.00 -0.05 0.00 0.00 57.45 54.40 2wet n PHE 94 Cb 0.59 -2.17 -0.09 0.00 -0.94 0.00 0.00 39.48 36.87 2wet n PHE 94 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2wet s GLU 95 N 1.43 0.55 0.50 -1.08 2.12 -1.26 -4.32 118.70 116.64 2wet s GLU 95 Ca 0.42 1.01 -0.18 0.00 0.36 0.00 0.00 54.97 56.59 2wet s GLU 95 Cb 0.10 0.06 -0.08 0.00 0.26 0.00 0.00 34.13 34.48 2wet s GLU 95 CO -0.02 -0.16 0.99 1.03 -0.54 0.00 0.00 175.26 176.56 2wet s ARG 96 N 1.54 3.92 0.29 4.30 0.52 -1.26 -5.01 118.95 123.25 2wet s ARG 96 Ca -0.10 1.06 -0.29 0.00 -0.52 0.00 0.00 55.73 55.88 2wet s ARG 96 Cb -0.07 -2.13 -0.10 0.00 0.52 0.00 0.00 34.95 33.18 2wet s ARG 96 CO -0.16 -0.30 1.16 -0.51 0.02 0.00 0.00 175.30 175.51 2wet s LEU 97 N -3.88 4.51 0.58 2.53 1.43 -1.26 -5.03 118.68 117.56 2wet s LEU 97 Ca 0.61 2.39 -0.15 0.00 -1.03 0.00 0.00 54.13 55.95 2wet s LEU 97 Cb -0.11 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 2wet s LEU 97 CO 0.27 -0.27 1.02 -0.13 0.23 0.00 0.00 176.35 177.48 2wet s ARG 98 N -1.49 3.59 -0.12 1.70 0.52 -1.26 -4.88 118.95 117.02 2wet s ARG 98 Ca 0.46 0.98 0.02 0.00 -0.52 0.00 0.00 55.73 56.67 2wet s ARG 98 Cb -0.34 -2.08 -0.01 0.00 0.52 0.00 0.00 34.95 33.04 2wet s ARG 98 CO 0.44 -0.57 -0.18 0.08 0.02 0.00 0.00 175.30 175.10 2wet s VAL 99 N -2.73 2.65 -0.13 3.52 1.01 -1.26 -1.80 120.40 121.65 2wet s VAL 99 Ca 0.59 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2wet s VAL 99 Cb -0.12 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.20 2wet s VAL 99 CO 0.40 0.54 -0.14 -0.69 0.00 0.00 0.00 175.10 175.21 2wet s VAL 100 N 0.32 1.53 -1.38 2.92 1.01 0.19 -4.83 120.40 120.16 2wet s VAL 100 Ca -0.14 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 2wet s VAL 100 Cb -0.17 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 34.82 2wet s VAL 100 CO 0.07 0.45 0.88 0.47 0.00 0.00 0.00 175.10 176.97 2wet n ASP 101 N 4.60 -3.12 0.00 3.32 10.43 -1.26 -2.10 116.55 128.41 2wet n ASP 101 Ca -0.17 -0.76 0.00 0.00 2.57 0.00 0.00 54.79 56.43 2wet n ASP 101 Cb 0.50 -4.20 0.00 0.00 1.84 0.00 0.00 41.12 39.26 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 -1.63 2.31 3.25 0.44 0.00 -1.26 -5.02 105.19 103.28 2wet n GLY 102 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.76 1.90 0.76 1.61 0.40 -0.89 -5.11 117.98 113.88 2wet s PHE 103 Ca 0.00 -0.37 -0.11 0.00 -0.60 0.00 0.00 56.93 55.85 2wet s PHE 103 Cb 0.00 -1.18 0.05 0.00 0.51 0.00 0.00 43.02 42.40 2wet s PHE 103 CO 0.00 0.03 1.08 0.54 0.70 0.00 0.00 175.22 177.57 2wet s ASN 104 N -0.84 4.80 0.47 1.36 2.20 -1.26 -0.64 114.94 121.04 2wet s ASN 104 Ca 0.08 1.49 0.17 0.00 -0.94 0.00 0.00 52.86 53.66 2wet s ASN 104 Cb -0.09 -2.28 1.13 0.00 -2.00 0.00 0.00 41.25 38.02 2wet s ASN 104 CO 0.00 -1.79 2.04 0.24 -2.94 0.00 0.00 177.10 174.65 2wet h MET 105 N -0.96 0.00 -0.58 3.55 2.86 -1.69 -1.84 114.93 116.27 2wet h MET 105 Ca -0.45 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.23 2wet h MET 105 Cb 1.24 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.85 2wet h MET 105 CO 0.57 0.13 0.31 0.00 1.06 0.00 0.00 176.91 178.99 2wet h ALA 106 N 1.87 0.75 -0.12 6.32 0.00 -1.93 0.59 119.26 126.75 2wet h ALA 106 Ca -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2wet h ALA 106 Cb 0.25 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2wet h ALA 106 CO 0.02 -0.02 0.01 0.93 0.00 0.00 0.00 179.25 180.19 2wet h GLU 107 N 0.59 0.20 -0.79 0.00 4.39 -1.71 -2.12 114.58 115.14 2wet h GLU 107 Ca 0.25 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 59.99 2wet h GLU 107 Cb 0.14 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.70 2wet h GLU 107 CO -0.16 0.41 0.45 -1.49 -1.16 0.00 0.00 179.01 177.05 2wet h TRP 108 N -0.04 0.81 -0.71 4.33 4.06 -1.30 -2.19 115.95 120.91 2wet h TRP 108 Ca 0.03 0.03 0.03 0.00 2.06 0.00 0.00 58.89 61.04 2wet h TRP 108 Cb 0.31 -0.24 -0.04 0.00 -1.00 0.00 0.00 29.16 28.19 2wet h TRP 108 CO 0.02 0.33 0.47 2.35 -3.56 0.00 0.00 178.44 178.05 2wet h TRP 109 N 0.76 0.84 -0.22 0.49 7.01 0.42 0.30 115.95 125.55 2wet h TRP 109 Ca 0.38 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.31 2wet h TRP 109 Cb 0.34 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 2wet h TRP 109 CO -0.07 0.50 -0.25 -0.07 -2.79 0.00 0.00 178.44 175.76 2wet h LEU 110 N 0.88 0.42 0.13 0.65 3.38 -0.77 -1.74 115.31 118.26 2wet h LEU 110 Ca 0.28 -0.14 -0.35 0.00 0.09 0.00 0.00 57.88 57.77 2wet h LEU 110 Cb 0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2wet h LEU 110 CO -0.08 0.67 -1.83 0.00 0.09 0.00 0.00 178.44 177.29 2wet h ALA 111 N 1.37 0.37 0.00 1.53 0.00 -0.72 -3.43 119.26 118.38 2wet h ALA 111 Ca 0.06 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.67 2wet h ALA 111 Cb 0.64 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2wet h ALA 111 CO 0.05 1.24 -0.10 1.33 0.00 0.00 0.00 179.25 181.76 2wet n VAL 112 N -3.46 0.13 0.00 0.00 0.24 0.90 -5.08 118.33 111.07 2wet n VAL 112 Ca -0.26 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 2wet n VAL 112 Cb 1.06 0.82 0.00 0.00 -1.47 0.00 0.00 33.84 34.25 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 -0.08 -2.88 3.52 7.63 0.00 -0.65 -4.95 105.19 107.77 2wet n GLY 113 Ca 0.00 -1.19 -0.45 0.00 0.00 0.00 0.00 46.02 44.38 2wet n GLY 113 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wet n SER 118 N 0.00 0.29 0.02 1.61 2.88 -1.26 -5.08 113.62 112.08 2wet n SER 118 Ca 0.00 1.11 -0.12 0.00 -1.33 0.00 0.00 58.87 58.53 2wet n SER 118 Cb 0.00 -1.18 -0.06 0.00 -0.75 0.00 0.00 64.21 62.22 2wet n SER 118 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2wet h PHE 119 N 1.51 0.04 -0.13 0.66 3.57 -1.98 -0.37 116.94 120.24 2wet h PHE 119 Ca -0.37 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 60.95 2wet h PHE 119 Cb 1.37 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 40.10 2wet h PHE 119 CO 0.44 0.04 -0.65 0.66 -2.23 0.00 0.00 178.31 176.57 2wet h SER 120 N 0.03 0.57 -0.43 0.41 4.64 -1.96 -0.66 113.55 116.15 2wet h SER 120 Ca 0.01 -0.34 -0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2wet h SER 120 Cb 0.01 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 2wet h SER 120 CO -0.00 1.07 0.25 -0.08 -0.87 0.00 0.00 176.83 177.20 2wet h GLU 121 N 0.36 0.58 -0.08 4.77 4.81 -1.82 -2.13 114.58 121.06 2wet h GLU 121 Ca -0.01 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.01 2wet h GLU 121 Cb 1.21 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2wet h GLU 121 CO 0.12 0.43 -0.63 0.00 -0.73 0.00 0.00 179.01 178.20 2wet h ALA 122 N 1.11 0.77 0.00 2.92 0.00 -0.86 -3.37 119.26 119.84 2wet h ALA 122 Ca 0.15 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2wet h ALA 122 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2wet h ALA 122 CO -0.03 0.74 -1.33 0.00 0.00 0.00 0.00 179.25 178.63 2wet s TYR 124 N -3.18 0.71 0.35 0.00 2.02 -0.81 -4.80 117.35 111.64 2wet s TYR 124 Ca 0.03 -0.19 0.06 0.00 -0.37 0.00 0.00 57.07 56.59 2wet s TYR 124 Cb 0.15 -0.68 0.72 0.00 -0.40 0.00 0.00 41.96 41.75 2wet s TYR 124 CO 0.88 -0.22 1.93 -0.07 -1.57 0.00 0.00 175.55 176.50 2wet h LEU 125 N 7.43 0.71 -1.65 -1.29 3.38 -1.87 -2.86 115.31 119.17 2wet h LEU 125 Ca -0.35 0.01 0.18 0.00 0.09 0.00 0.00 57.88 57.81 2wet h LEU 125 Cb 1.14 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 2wet h LEU 125 CO 0.43 0.44 0.53 0.74 0.09 0.00 0.00 178.44 180.67 2wet h THR 126 N 0.79 0.73 0.08 0.22 2.02 -1.94 -2.26 112.91 112.54 2wet h THR 126 Ca 0.36 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 67.46 2wet h THR 126 Cb 0.37 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 2wet h THR 126 CO -0.14 0.06 -0.30 -0.74 0.37 0.00 0.00 175.52 174.78 2wet h HIS 127 N 0.32 -0.80 -0.41 3.16 -0.00 -1.75 -1.20 115.15 114.47 2wet h HIS 127 Ca 0.39 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.80 2wet h HIS 127 Cb 1.05 0.34 -0.03 0.00 -0.00 0.00 0.00 27.41 28.78 2wet h HIS 127 CO -0.00 -0.40 0.24 0.00 -0.00 0.00 0.00 177.93 177.77 2wet h ARG 128 N -0.49 0.48 -0.86 5.26 2.47 -1.59 -0.86 114.38 118.78 2wet h ARG 128 Ca 0.04 -0.03 0.02 0.00 -1.26 0.00 0.00 59.98 58.76 2wet h ARG 128 Cb 0.54 -0.11 -0.05 0.00 -1.65 0.00 0.00 29.97 28.70 2wet h ARG 128 CO -0.20 0.32 0.57 -0.07 0.56 0.00 0.00 179.97 181.15 2wet h LEU 129 N 0.49 0.96 -0.06 3.04 4.07 -1.27 -0.60 115.31 121.93 2wet h LEU 129 Ca 0.16 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.07 2wet h LEU 129 Cb 0.01 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.52 2wet h LEU 129 CO -0.08 0.67 -0.12 0.00 -1.08 0.00 0.00 178.44 177.84 2wet h GLU 131 N -0.30 0.44 -0.29 0.00 4.39 -0.49 -1.28 114.58 117.05 2wet h GLU 131 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2wet h GLU 131 Cb 0.70 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2wet h GLU 131 CO 0.03 0.29 0.00 0.00 -1.16 0.00 0.00 179.01 178.17 2wet n ALA 132 N -2.50 2.48 -3.69 3.43 0.00 -0.29 -4.95 120.51 114.99 2wet n ALA 132 Ca 0.18 -0.65 -0.23 0.00 0.00 0.00 0.00 53.44 52.74 2wet n ALA 132 Cb 0.52 -1.02 0.05 0.00 0.00 0.00 0.00 19.45 19.00 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 0.60 -5.75 -2.88 0.00 5.02 -0.48 -4.91 118.16 109.77 2wet n LYS 133 Ca 0.16 0.68 -0.33 0.00 -2.02 0.00 0.00 58.31 56.80 2wet n LYS 133 Cb 0.37 -5.46 -0.07 0.00 -0.02 0.00 0.00 35.03 29.85 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 -6.05 4.15 0.51 1.97 1.81 -0.16 -0.71 118.95 120.47 2wet s ARG 134 Ca 0.22 0.99 -0.18 0.00 -1.72 0.00 0.00 55.73 55.04 2wet s ARG 134 Cb -0.11 -2.24 -0.08 0.00 -0.45 0.00 0.00 34.95 32.07 2wet s ARG 134 CO 0.79 0.00 1.00 0.00 -0.68 0.00 0.00 175.30 176.42 2wet s ALA 135 N -2.16 2.96 -2.00 2.13 0.00 -0.68 -4.19 121.76 117.82 2wet s ALA 135 Ca 0.60 0.34 0.14 0.00 0.00 0.00 0.00 51.96 53.03 2wet s ALA 135 Cb -0.09 -3.17 0.82 0.00 0.00 0.00 0.00 23.12 20.67 2wet s ALA 135 CO 0.15 -0.29 1.49 -0.35 0.00 0.00 0.00 175.76 176.77 2wet n PRO 136 N -1.38 0.95 -4.33 0.00 -0.04 -1.26 -4.74 135.00 124.20 2wet n PRO 136 Ca 0.08 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.35 2wet n PRO 136 Cb 0.54 -1.22 -0.15 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.78 0.97 0.54 0.52 -1.26 -1.19 118.95 117.30 2wet s ARG 137 Ca 0.21 -0.28 -0.11 0.00 -0.52 0.00 0.00 55.73 55.03 2wet s ARG 137 Cb 0.09 -0.74 0.17 0.00 0.52 0.00 0.00 34.95 34.99 2wet s ARG 137 CO 0.16 0.13 1.10 -1.64 0.02 0.00 0.00 175.30 175.07 2wet s MET 138 N 0.05 0.64 0.55 3.54 -1.94 0.14 -4.46 119.30 117.82 2wet s MET 138 Ca -0.00 1.20 0.32 0.00 -1.71 0.00 0.00 55.69 55.49 2wet s MET 138 Cb -0.06 -1.71 1.59 0.00 2.01 0.00 0.00 34.83 36.66 2wet s MET 138 CO -0.00 -2.78 2.10 -0.07 -0.01 0.00 0.00 175.02 174.26 2wet h LEU 139 N -1.96 0.00 -0.01 -0.03 3.38 -1.91 -1.10 115.31 113.68 2wet h LEU 139 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2wet h LEU 139 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2wet h LEU 139 CO 0.47 0.08 0.00 -0.90 0.09 0.00 0.00 178.44 178.18 2wet n ASP 140 N -3.43 0.14 0.00 -0.43 5.68 -1.26 -4.89 116.55 112.36 2wet n ASP 140 Ca -0.01 0.51 0.00 0.00 -0.50 0.00 0.00 54.79 54.79 2wet n ASP 140 Cb 0.23 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.66 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 1.37 0.79 3.76 6.12 0.00 -0.42 -5.09 105.19 111.72 2wet n GLY 141 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.36 7.56 0.41 1.61 1.04 -1.25 -4.80 113.70 116.91 2wet s SER 142 Ca 0.00 1.85 -0.25 0.00 0.48 0.00 0.00 55.95 58.03 2wet s SER 142 Cb 0.00 -2.57 -0.08 0.00 0.10 0.00 0.00 66.02 63.46 2wet s SER 142 CO 0.00 0.17 1.23 -0.22 0.98 0.00 0.00 173.24 175.40 2wet s LEU 143 N -1.13 4.18 0.54 2.42 2.96 -1.26 -0.69 118.68 125.70 2wet s LEU 143 Ca 0.40 2.49 0.22 0.00 -0.22 0.00 0.00 54.13 57.02 2wet s LEU 143 Cb -0.25 -3.99 1.46 0.00 0.50 0.00 0.00 46.19 43.91 2wet s LEU 143 CO 0.30 -0.80 2.16 2.19 -1.32 0.00 0.00 176.35 178.88 2wet h PHE 144 N 2.59 0.00 0.00 5.38 -0.00 -1.53 -3.46 116.94 119.92 2wet h PHE 144 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.48 2wet h PHE 144 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.19 2wet h PHE 144 CO 0.54 0.04 0.00 0.00 -0.00 0.00 0.00 178.31 178.89 2wet n ALA 145 N -2.42 0.00 0.00 12.09 0.00 -1.26 -5.10 120.51 123.81 2wet n ALA 145 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2wet n ALA 145 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 2wet n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wet n LEU 152 N 0.00 0.00 0.00 0.00 4.77 -1.26 -5.22 117.00 115.29 2wet n LEU 152 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2wet n LEU 152 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2wet n LEU 152 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2wet n GLY 153 N -0.21 1.45 3.47 -0.72 0.00 -1.26 -4.52 105.19 103.39 2wet n GLY 153 Ca 0.00 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 2wet n GLY 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wet s ARG 154 N 0.00 3.17 -0.03 1.61 0.52 -1.26 -2.99 118.95 119.97 2wet s ARG 154 Ca 0.00 -0.84 -0.15 0.00 -0.52 0.00 0.00 55.73 54.22 2wet s ARG 154 Cb 0.00 -4.31 0.03 0.00 0.52 0.00 0.00 34.95 31.19 2wet s ARG 154 CO 0.00 -1.87 0.33 -1.54 0.02 0.00 0.00 175.30 172.24 2wet s SER 155 N 3.72 -0.23 0.41 0.23 1.04 -1.26 -5.07 113.70 112.55 2wet s SER 155 Ca 0.25 0.17 0.08 0.00 0.48 0.00 0.00 55.95 56.93 2wet s SER 155 Cb -0.14 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.34 2wet s SER 155 CO 0.09 -0.43 0.56 0.42 0.98 0.00 0.00 173.24 174.86 2wet s THR 156 N -1.20 3.13 0.38 2.02 -4.23 -1.26 -4.71 115.64 109.77 2wet s THR 156 Ca -0.12 -0.99 0.17 0.00 -1.18 0.00 0.00 61.69 59.57 2wet s THR 156 Cb -0.05 -3.06 0.38 0.00 1.34 0.00 0.00 72.50 71.11 2wet s THR 156 CO 0.04 -0.02 1.74 -0.07 -0.54 0.00 0.00 174.62 175.77 2wet h LEU 157 N 0.65 0.49 -1.63 4.79 3.38 -1.95 -0.29 115.31 120.74 2wet h LEU 157 Ca -0.41 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2wet h LEU 157 Cb 1.28 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2wet h LEU 157 CO 0.46 0.04 0.14 0.00 0.09 0.00 0.00 178.44 179.18 2wet h ALA 158 N 1.66 1.11 -0.58 1.53 0.00 -2.01 -1.51 119.26 119.46 2wet h ALA 158 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.55 2wet h ALA 158 Cb 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2wet h ALA 158 CO -0.38 -0.11 0.00 0.39 0.00 0.00 0.00 179.25 179.15 2wet n GLU 159 N -2.44 2.63 -1.68 0.00 4.71 -0.12 -4.95 120.64 118.79 2wet n GLU 159 Ca -0.02 -2.49 -0.48 0.00 -0.01 0.00 0.00 57.16 54.16 2wet n GLU 159 Cb 0.18 -1.54 -0.05 0.00 -1.01 0.00 0.00 31.44 29.02 2wet n GLU 159 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 2wet n GLN 160 N 1.56 2.14 0.00 3.49 7.27 -0.57 -4.92 117.38 126.36 2wet n GLN 160 Ca 0.22 0.78 0.00 0.00 0.07 0.00 0.00 57.00 58.07 2wet n GLN 160 Cb 0.61 -2.61 0.00 0.00 2.41 0.00 0.00 30.24 30.65 2wet n GLN 160 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2wet n ARG 161 N 5.91 0.00 -2.09 3.69 5.12 -1.26 -5.05 116.66 122.98 2wet n ARG 161 Ca 0.21 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.79 2wet n ARG 161 Cb 0.29 0.00 0.02 0.00 -1.16 0.00 0.00 32.46 31.60 2wet n ARG 161 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wet s ALA 162 N -3.32 2.63 -0.44 7.54 0.00 -1.26 -4.94 121.76 121.98 2wet s ALA 162 Ca 0.00 0.68 -0.28 0.00 0.00 0.00 0.00 51.96 52.35 2wet s ALA 162 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2wet s ALA 162 CO 0.00 -0.91 1.51 -1.14 0.00 0.00 0.00 175.76 175.22 2wet s GLN 163 N -3.62 3.42 0.35 0.00 2.00 -1.26 -4.97 119.66 115.58 2wet s GLN 163 Ca 0.70 0.92 -0.28 0.00 -2.00 0.00 0.00 55.36 54.69 2wet s GLN 163 Cb -0.22 -4.10 -0.11 0.00 0.80 0.00 0.00 33.01 29.39 2wet s GLN 163 CO 0.32 -1.76 1.42 0.12 -0.50 0.00 0.00 175.29 174.89 2wet s PHE 164 N 6.04 2.80 -2.30 1.67 5.36 -1.26 -4.92 117.98 125.37 2wet s PHE 164 Ca 0.64 1.24 0.21 0.00 -0.96 0.00 0.00 56.93 58.06 2wet s PHE 164 Cb -0.15 -3.88 0.66 0.00 -0.34 0.00 0.00 43.02 39.31 2wet s PHE 164 CO 0.31 -2.55 1.50 -0.35 -1.46 0.00 0.00 175.22 172.67 2wet n PRO 165 N 0.76 1.88 -3.60 10.12 -0.04 -1.26 -4.77 135.00 138.08 2wet n PRO 165 Ca 0.01 -1.33 -0.11 0.00 -0.04 0.00 0.00 63.50 62.03 2wet n PRO 165 Cb 0.40 -1.41 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 2wet n PRO 165 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2wet s TYR 166 N -1.72 -0.26 0.00 0.54 1.13 -1.26 -4.64 117.35 111.14 2wet s TYR 166 Ca 0.33 -0.04 0.00 0.00 -1.41 0.00 0.00 57.07 55.95 2wet s TYR 166 Cb 0.18 0.32 0.00 0.00 -1.10 0.00 0.00 41.96 41.37 2wet s TYR 166 CO 0.26 -0.75 0.00 0.00 -2.51 0.00 0.00 175.55 172.56 2wet n ALA 167 N -0.26 0.00 -2.61 9.51 0.00 0.11 -4.32 120.51 122.94 2wet n ALA 167 Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.11 2wet n ALA 167 Cb 0.64 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.97 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 0.61 1.22 -0.08 0.00 1.51 -1.26 -0.56 117.35 118.80 2wet s TYR 168 Ca 0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 57.07 55.54 2wet s TYR 168 Cb 0.00 -0.67 -0.03 0.00 -0.11 0.00 0.00 41.96 41.15 2wet s TYR 168 CO 0.00 0.07 -0.06 -1.01 -1.11 0.00 0.00 175.55 173.43 2wet s HIS 169 N -1.74 2.95 0.22 2.71 3.76 -0.23 -1.86 115.29 121.11 2wet s HIS 169 Ca 0.02 -0.01 -0.13 0.00 -0.15 0.00 0.00 55.06 54.79 2wet s HIS 169 Cb -0.07 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 31.88 2wet s HIS 169 CO 0.02 0.30 0.46 -0.59 -0.85 0.00 0.00 174.74 174.08 2wet s PHE 170 N -0.70 0.26 -0.40 1.40 -0.12 -0.16 0.21 117.98 118.47 2wet s PHE 170 Ca 0.11 -0.62 -0.27 0.00 -0.05 0.00 0.00 56.93 56.10 2wet s PHE 170 Cb -0.11 0.20 0.02 0.00 -0.63 0.00 0.00 43.02 42.50 2wet s PHE 170 CO 0.02 -0.94 1.02 0.34 -0.05 0.00 0.00 175.22 175.60 2wet s ASP 171 N -2.98 6.70 0.47 1.98 -1.08 -0.28 -4.41 116.67 117.07 2wet s ASP 171 Ca 0.19 0.58 0.26 0.00 -0.52 0.00 0.00 52.55 53.06 2wet s ASP 171 Cb -0.00 -2.50 1.09 0.00 -1.46 0.00 0.00 42.92 40.05 2wet s ASP 171 CO 0.05 -1.00 1.90 0.00 0.52 0.00 0.00 175.17 176.64 2wet h ALA 172 N 8.69 1.08 0.43 3.66 0.00 -1.89 -1.37 119.26 129.86 2wet h ALA 172 Ca -0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2wet h ALA 172 Cb 1.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2wet h ALA 172 CO 1.04 0.23 -0.33 -0.44 0.00 0.00 0.00 179.25 179.76 2wet h ASP 173 N 0.00 -0.85 -0.19 0.00 3.32 -1.92 -1.57 116.42 115.22 2wet h ASP 173 Ca -0.00 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 2wet h ASP 173 Cb 0.63 0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 2wet h ASP 173 CO 0.02 -0.49 -0.01 -0.33 -1.72 0.00 0.00 179.24 176.71 2wet h GLU 174 N -0.75 0.47 -0.10 3.56 4.39 -1.70 0.61 114.58 121.06 2wet h GLU 174 Ca -0.04 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 2wet h GLU 174 Cb 0.64 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2wet h GLU 174 CO 0.01 0.51 0.02 0.28 -1.16 0.00 0.00 179.01 178.66 2wet h VAL 175 N 0.45 1.22 -0.06 3.13 2.07 -1.28 0.12 116.25 121.90 2wet h VAL 175 Ca 0.10 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 66.98 2wet h VAL 175 Cb 0.32 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 2wet h VAL 175 CO 0.01 0.19 -0.29 0.00 0.02 0.00 0.00 177.57 177.51 2wet h ALA 176 N 0.79 -0.36 -0.55 1.67 0.00 -0.87 0.45 119.26 120.39 2wet h ALA 176 Ca 0.03 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2wet h ALA 176 Cb 0.29 0.52 -0.10 0.00 0.00 0.00 0.00 17.79 18.50 2wet h ALA 176 CO 0.00 -0.78 -0.10 -0.09 0.00 0.00 0.00 179.25 178.29 2wet h ARG 177 N -0.40 0.03 -0.24 0.00 2.43 -0.76 0.31 114.38 115.74 2wet h ARG 177 Ca 0.08 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2wet h ARG 177 Cb 0.51 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 2wet h ARG 177 CO -0.28 0.02 0.09 -0.92 -1.51 0.00 0.00 179.97 177.37 2wet h TYR 178 N 0.03 0.37 0.00 2.20 3.20 -0.26 -1.99 116.97 120.52 2wet h TYR 178 Ca 0.27 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.04 2wet h TYR 178 Cb 0.42 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 2wet h TYR 178 CO -0.42 0.39 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.10 2wet h LEU 179 N 0.24 0.00 -0.50 2.82 3.38 0.48 -1.75 115.31 119.97 2wet h LEU 179 Ca 0.08 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 2wet h LEU 179 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2wet h LEU 179 CO -0.01 0.32 -0.10 0.77 0.09 0.00 0.00 178.44 179.51 2wet h SER 180 N 0.00 0.96 -0.38 -0.43 4.64 0.05 0.58 113.55 118.97 2wet h SER 180 Ca -0.00 -0.35 -0.01 0.00 -0.47 0.00 0.00 61.79 60.96 2wet h SER 180 Cb 0.61 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 2wet h SER 180 CO 0.04 1.09 0.21 -0.33 -0.87 0.00 0.00 176.83 176.98 2wet h GLU 181 N 0.82 0.52 -0.06 4.77 5.08 -0.91 -0.61 114.58 124.20 2wet h GLU 181 Ca 0.13 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2wet h GLU 181 Cb 0.66 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 2wet h GLU 181 CO 0.05 0.42 -0.23 -0.92 -1.00 0.00 0.00 179.01 177.32 2wet h TYR 182 N 0.49 -0.61 -0.38 4.33 3.20 -1.13 -2.26 116.97 120.60 2wet h TYR 182 Ca 0.13 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.91 2wet h TYR 182 Cb 0.04 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 2wet h TYR 182 CO -0.03 -0.32 -0.21 0.00 -1.64 0.00 0.00 178.16 175.97 2wet h ALA 183 N 0.57 0.54 -0.54 1.82 0.00 -0.67 -2.90 119.26 118.08 2wet h ALA 183 Ca 0.08 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 2wet h ALA 183 Cb 0.44 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2wet h ALA 183 CO -0.25 0.50 0.04 0.82 0.00 0.00 0.00 179.25 180.36 2wet h ILE 184 N 0.61 1.26 -0.25 0.00 2.04 -1.15 -1.84 117.51 118.18 2wet h ILE 184 Ca 0.08 -1.04 0.07 0.00 1.00 0.00 0.00 64.86 64.97 2wet h ILE 184 Cb 0.77 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2wet h ILE 184 CO 0.06 0.37 0.30 0.00 0.00 0.00 0.00 178.15 178.89 2wet h ALA 185 N 0.97 1.86 -0.69 1.87 0.00 -1.25 -0.79 119.26 121.23 2wet h ALA 185 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2wet h ALA 185 Cb 0.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2wet h ALA 185 CO 0.02 -0.43 0.00 0.54 0.00 0.00 0.00 179.25 179.38 2wet n ARG 186 N -3.66 3.38 -0.18 0.00 1.74 -0.75 -4.93 116.66 112.27 2wet n ARG 186 Ca 0.03 -2.80 0.00 0.00 -0.77 0.00 0.00 57.85 54.32 2wet n ARG 186 Cb 0.44 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 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 1.34 0.89 3.69 -0.13 0.00 -0.30 -4.94 105.19 105.74 2wet n GLY 187 Ca 0.26 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 4.49 -0.21 1.61 1.01 -0.83 -4.61 120.40 119.87 2wet s VAL 188 Ca 0.00 1.79 -0.29 0.00 0.00 0.00 0.00 61.98 63.48 2wet s VAL 188 Cb 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2wet s VAL 188 CO 0.00 -0.00 1.09 -0.60 0.00 0.00 0.00 175.10 175.59 2wet s ARG 189 N 2.16 4.26 -0.25 2.72 3.52 -0.64 -4.51 118.95 126.23 2wet s ARG 189 Ca 0.52 1.43 -0.08 0.00 -0.13 0.00 0.00 55.73 57.47 2wet s ARG 189 Cb -0.22 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.48 2wet s ARG 189 CO 0.20 -0.63 0.11 -1.58 -0.81 0.00 0.00 175.30 172.59 2wet s HIS 190 N 3.18 3.15 -0.21 5.12 5.65 -1.26 -0.61 115.29 130.31 2wet s HIS 190 Ca 0.47 -0.18 -0.01 0.00 0.25 0.00 0.00 55.06 55.59 2wet s HIS 190 Cb -0.17 -2.25 0.01 0.00 -1.18 0.00 0.00 32.58 28.99 2wet s HIS 190 CO 0.09 -0.21 -0.12 0.08 -0.65 0.00 0.00 174.74 173.93 2wet s VAL 191 N 1.45 2.63 -0.50 0.89 1.01 -0.41 -4.99 120.40 120.48 2wet s VAL 191 Ca 0.06 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 2wet s VAL 191 Cb -0.15 -2.21 0.10 0.00 0.00 0.00 0.00 36.38 34.12 2wet s VAL 191 CO 0.05 0.41 0.44 -0.69 0.00 0.00 0.00 175.10 175.31 2wet s VAL 192 N 1.35 5.20 0.22 2.92 1.01 -1.26 -1.67 120.40 128.16 2wet s VAL 192 Ca 0.04 -1.28 -0.23 0.00 0.00 0.00 0.00 61.98 60.51 2wet s VAL 192 Cb -0.14 -4.22 0.05 0.00 0.00 0.00 0.00 36.38 32.07 2wet s VAL 192 CO -0.08 -0.72 0.87 -0.62 0.00 0.00 0.00 175.10 174.56 2wet s ASP 193 N 3.07 -0.17 -0.16 3.32 -1.08 -0.46 -4.83 116.67 116.36 2wet s ASP 193 Ca 0.04 -0.56 -0.08 0.00 -0.52 0.00 0.00 52.55 51.43 2wet s ASP 193 Cb -0.27 0.60 -0.04 0.00 -1.46 0.00 0.00 42.92 41.75 2wet s ASP 193 CO 0.05 -1.13 0.09 -1.81 0.52 0.00 0.00 175.17 172.89 2wet s ASP 194 N -2.99 5.92 -0.38 -0.34 1.01 -1.26 -3.01 116.67 115.62 2wet s ASP 194 Ca 0.13 0.21 -0.29 0.00 0.71 0.00 0.00 52.55 53.32 2wet s ASP 194 Cb -0.03 -1.98 0.02 0.00 1.01 0.00 0.00 42.92 41.94 2wet s ASP 194 CO 0.05 0.25 1.17 -0.69 0.21 0.00 0.00 175.17 176.16 2wet s VAL 195 N -0.06 4.27 -0.01 -1.27 1.01 -1.26 -2.60 120.40 120.47 2wet s VAL 195 Ca 0.08 1.39 0.09 0.00 0.00 0.00 0.00 61.98 63.54 2wet s VAL 195 Cb -0.12 -4.42 -0.23 0.00 0.00 0.00 0.00 36.38 31.61 2wet s VAL 195 CO 0.01 -0.71 0.78 1.56 0.00 0.00 0.00 175.10 176.74 2wet h GLN 196 N 8.98 0.03 -2.51 2.72 4.20 -1.08 -3.48 115.11 123.98 2wet h GLN 196 Ca -0.23 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.33 2wet h GLN 196 Cb 1.07 0.02 -0.24 0.00 0.30 0.00 0.00 27.48 28.64 2wet h GLN 196 CO 1.07 0.68 -0.15 -1.58 -0.67 0.00 0.00 178.83 178.18 2wet s HIS 197 N -2.62 -0.61 -0.22 2.96 5.04 -1.19 -5.02 115.29 113.63 2wet s HIS 197 Ca -0.05 1.40 -0.05 0.00 -1.54 0.00 0.00 55.06 54.82 2wet s HIS 197 Cb 0.08 0.24 -0.02 0.00 0.04 0.00 0.00 32.58 32.92 2wet s HIS 197 CO 0.82 -0.30 0.01 0.08 -2.34 0.00 0.00 174.74 173.01 2wet s VAL 198 N 0.64 3.91 0.32 0.89 1.01 -1.26 -0.24 120.40 125.66 2wet s VAL 198 Ca -0.03 -0.32 -0.23 0.00 0.00 0.00 0.00 61.98 61.40 2wet s VAL 198 Cb -0.05 -2.79 -0.10 0.00 0.00 0.00 0.00 36.38 33.45 2wet s VAL 198 CO -0.04 0.40 0.88 -0.83 0.00 0.00 0.00 175.10 175.52 2wet s GLY 199 N 1.28 2.67 -0.03 4.51 0.00 0.06 -5.00 107.32 110.81 2wet s GLY 199 Ca 0.04 0.40 0.03 0.00 0.00 0.00 0.00 44.72 45.18 2wet s GLY 199 CO 0.01 0.78 -0.09 1.20 0.00 0.00 0.00 173.10 175.00 2wet s GLN 200 N -2.25 0.99 0.40 2.90 -0.21 -1.26 -1.20 119.66 119.03 2wet s GLN 200 Ca 0.50 -0.31 -0.07 0.00 0.02 0.00 0.00 55.36 55.50 2wet s GLN 200 Cb -0.16 -0.92 0.09 0.00 1.00 0.00 0.00 33.01 33.02 2wet s GLN 200 CO 0.21 0.11 0.53 -0.40 -2.12 0.00 0.00 175.29 173.62 2wet n ASP 201 N 3.30 -0.09 0.28 5.90 5.68 -0.17 -4.84 116.55 126.60 2wet n ASP 201 Ca -0.18 -1.16 0.19 0.00 -0.50 0.00 0.00 54.79 53.14 2wet n ASP 201 Cb 0.54 -0.41 0.99 0.00 -1.14 0.00 0.00 41.12 41.10 2wet n ASP 201 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2wet h GLU 202 N 0.00 0.00 -0.10 0.11 4.81 -2.02 -1.80 114.58 115.59 2wet h GLU 202 Ca -0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2wet h GLU 202 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2wet h GLU 202 CO 0.12 0.00 0.00 2.89 -0.73 0.00 0.00 179.01 181.29 2wet n ARG 203 N -2.78 1.41 -0.14 1.92 1.85 -1.26 -4.96 116.66 112.71 2wet n ARG 203 Ca -0.02 -1.55 0.00 0.00 -1.00 0.00 0.00 57.85 55.27 2wet n ARG 203 Cb 0.06 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.17 2wet n ARG 203 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wet n GLY 204 N 0.87 0.62 3.82 2.89 0.00 -0.68 -5.06 105.19 107.65 2wet n GLY 204 Ca 0.10 0.00 -0.33 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 -2.23 3.33 0.02 1.61 0.52 -1.26 -4.75 118.94 116.18 2wet s TRP 205 Ca 0.00 1.58 -0.30 0.00 0.02 0.00 0.00 56.10 57.39 2wet s TRP 205 Cb 0.00 -2.82 -0.05 0.00 -1.15 0.00 0.00 33.47 29.45 2wet s TRP 205 CO 0.00 -0.08 1.21 0.42 0.02 0.00 0.00 176.95 178.52 2wet s ILE 206 N -2.15 4.11 -0.12 2.03 1.01 -1.26 -1.00 121.20 123.82 2wet s ILE 206 Ca 0.61 1.49 0.20 0.00 0.00 0.00 0.00 60.65 62.94 2wet s ILE 206 Cb -0.09 -3.95 -0.25 0.00 0.01 0.00 0.00 42.46 38.17 2wet s ILE 206 CO 0.14 0.07 0.45 -1.54 0.00 0.00 0.00 174.94 174.06 2wet n SER 207 N 4.46 0.23 0.00 3.58 3.41 -0.34 -4.88 113.62 120.09 2wet n SER 207 Ca 0.10 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 2wet n SER 207 Cb 0.46 1.19 0.00 0.00 -0.26 0.00 0.00 64.21 65.60 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 1.44 1.48 3.29 5.00 0.00 -1.25 -4.38 105.19 110.76 2wet n GLY 208 Ca -0.14 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 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 2.89 -0.15 1.61 -7.23 -0.30 -0.76 120.40 114.46 2wet s VAL 209 Ca 0.00 -0.69 -0.19 0.00 -1.81 0.00 0.00 61.98 59.29 2wet s VAL 209 Cb 0.00 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 2wet s VAL 209 CO 0.00 0.50 0.54 -1.00 -0.31 0.00 0.00 175.10 174.83 2wet s HIS 210 N 0.91 3.45 0.32 2.82 3.76 0.67 -0.68 115.29 126.55 2wet s HIS 210 Ca -0.03 0.91 0.08 0.00 -0.15 0.00 0.00 55.06 55.87 2wet s HIS 210 Cb -0.15 -2.66 -0.04 0.00 1.11 0.00 0.00 32.58 30.84 2wet s HIS 210 CO -0.01 0.02 0.12 0.95 -0.85 0.00 0.00 174.74 174.97 2wet s THR 211 N 1.17 3.14 0.12 1.30 -4.23 0.22 -0.43 115.64 116.95 2wet s THR 211 Ca 0.27 -1.72 -0.17 0.00 -1.18 0.00 0.00 61.69 58.89 2wet s THR 211 Cb -0.16 -2.97 -0.03 0.00 1.34 0.00 0.00 72.50 70.68 2wet s THR 211 CO 0.11 -0.22 1.68 0.50 -0.54 0.00 0.00 174.62 176.15 2wet h LYS 212 N 1.60 0.49 0.00 3.99 3.64 -1.80 -3.35 116.57 121.15 2wet h LYS 212 Ca -0.44 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2wet h LYS 212 Cb 1.25 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2wet h LYS 212 CO 0.63 0.47 -0.14 1.04 -2.27 0.00 0.00 179.45 179.18 2wet n GLN 213 N -4.73 5.69 -0.46 1.90 6.02 -1.26 -4.73 117.38 119.82 2wet n GLN 213 Ca -0.01 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.03 2wet n GLN 213 Cb 0.12 -0.54 0.21 0.00 1.02 0.00 0.00 30.24 31.05 2wet n GLN 213 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2wet n HIS 214 N -1.01 0.71 -4.25 1.08 8.25 -1.26 -5.09 115.22 113.65 2wet n HIS 214 Ca 0.00 -1.13 0.00 0.00 -0.26 0.00 0.00 57.72 56.33 2wet n HIS 214 Cb 0.00 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 30.79 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 -0.92 1.29 3.69 -1.41 0.00 -1.25 -4.58 105.19 102.00 2wet n GLY 215 Ca 0.23 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 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 4.35 -0.33 1.61 2.12 -1.26 -0.61 118.70 124.59 2wet s GLU 216 Ca 0.00 0.89 -0.08 0.00 0.36 0.00 0.00 54.97 56.14 2wet s GLU 216 Cb 0.00 -3.52 0.02 0.00 0.26 0.00 0.00 34.13 30.90 2wet s GLU 216 CO 0.00 -0.13 0.12 0.42 -0.54 0.00 0.00 175.26 175.13 2wet s ILE 217 N 1.48 4.04 0.38 -3.70 1.01 0.15 -4.94 121.20 119.62 2wet s ILE 217 Ca 0.36 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 60.22 2wet s ILE 217 Cb -0.17 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 2wet s ILE 217 CO 0.15 -0.07 0.29 -0.44 0.00 0.00 0.00 174.94 174.87 2wet s SER 218 N 1.48 5.00 -0.02 3.58 0.01 -1.26 -1.15 113.70 121.34 2wet s SER 218 Ca 0.01 -0.70 -0.16 0.00 1.31 0.00 0.00 55.95 56.41 2wet s SER 218 Cb -0.18 -0.72 0.05 0.00 0.21 0.00 0.00 66.02 65.38 2wet s SER 218 CO 0.04 -0.49 0.71 0.61 0.41 0.00 0.00 173.24 174.52 2wet n GLY 219 N -1.40 0.36 0.09 3.44 0.00 -1.26 -4.92 105.19 101.50 2wet n GLY 219 Ca 0.00 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.93 2wet n GLY 219 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wet n ASP 220 N -0.63 1.84 -4.57 1.61 8.00 -0.17 -4.91 116.55 117.73 2wet n ASP 220 Ca 0.03 0.51 -0.34 0.00 0.71 0.00 0.00 54.79 55.69 2wet n ASP 220 Cb 0.32 -0.92 -0.11 0.00 -0.02 0.00 0.00 41.12 40.38 2wet n ASP 220 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2wet s LEU 221 N -8.00 3.22 -0.09 0.64 2.96 -0.59 -4.90 118.68 111.91 2wet s LEU 221 Ca -0.23 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 2wet s LEU 221 Cb 0.05 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 2wet s LEU 221 CO 0.43 0.32 -0.11 -0.36 -1.32 0.00 0.00 176.35 175.31 2wet s PHE 222 N -0.55 2.82 -0.23 5.38 0.08 0.10 -0.73 117.98 124.85 2wet s PHE 222 Ca 0.08 -0.32 -0.03 0.00 0.12 0.00 0.00 56.93 56.78 2wet s PHE 222 Cb -0.12 -1.76 -0.00 0.00 -0.57 0.00 0.00 43.02 40.57 2wet s PHE 222 CO 0.02 0.04 -0.05 0.08 -0.10 0.00 0.00 175.22 175.21 2wet s VAL 223 N -0.22 3.25 -0.52 -0.44 1.01 -0.12 -0.49 120.40 122.87 2wet s VAL 223 Ca 0.01 -0.60 -0.26 0.00 0.00 0.00 0.00 61.98 61.13 2wet s VAL 223 Cb -0.13 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.78 2wet s VAL 223 CO 0.03 0.38 1.03 -0.62 0.00 0.00 0.00 175.10 175.92 2wet s ASP 224 N 1.45 6.47 -0.28 3.32 3.68 0.26 -1.67 116.67 129.89 2wet s ASP 224 Ca 0.05 0.05 0.07 0.00 2.13 0.00 0.00 52.55 54.86 2wet s ASP 224 Cb -0.15 -2.49 0.46 0.00 -1.45 0.00 0.00 42.92 39.29 2wet s ASP 224 CO -0.04 -1.24 1.20 0.00 0.13 0.00 0.00 175.17 175.22 2wet n THR 226 N -0.75 0.17 -2.70 0.00 -2.24 -1.15 -4.25 114.28 103.36 2wet n THR 226 Ca 0.42 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2wet n THR 226 Cb 0.94 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 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 1.13 -1.20 0.37 3.38 0.00 -1.26 -4.22 105.19 103.38 2wet n GLY 227 Ca 0.17 -1.48 0.14 0.00 0.00 0.00 0.00 46.02 44.85 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 0.42 -0.96 1.61 0.04 -1.95 -1.60 116.94 114.50 2wet h PHE 228 Ca 0.00 0.01 0.31 0.00 2.80 0.00 0.00 57.97 61.09 2wet h PHE 228 Cb 0.00 -0.13 -0.16 0.00 2.20 0.00 0.00 35.95 37.85 2wet h PHE 228 CO 0.00 0.18 0.34 -0.09 -0.60 0.00 0.00 178.31 178.14 2wet h ARG 229 N 0.38 0.13 -6.47 1.51 2.43 -1.90 -3.46 114.38 106.99 2wet h ARG 229 Ca 0.32 -0.01 -0.49 0.00 -0.81 0.00 0.00 59.98 58.99 2wet h ARG 229 Cb 0.73 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.26 2wet h ARG 229 CO -0.09 0.08 -0.93 0.41 -1.51 0.00 0.00 179.97 177.93 2wet n GLY 230 N -1.35 -0.65 0.33 2.80 0.00 -0.68 -4.54 105.19 101.10 2wet n GLY 230 Ca 0.29 0.31 0.01 0.00 0.00 0.00 0.00 46.02 46.63 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 -1.98 0.88 0.00 0.99 5.85 -1.87 0.18 115.31 119.36 2wet h LEU 231 Ca -0.66 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.05 2wet h LEU 231 Cb 1.37 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 2wet h LEU 231 CO 0.55 0.56 -0.66 0.18 -0.34 0.00 0.00 178.44 178.73 2wet n LEU 232 N -4.60 1.83 -0.18 2.25 4.32 -1.26 -1.23 117.00 118.12 2wet n LEU 232 Ca 0.13 0.59 -0.07 0.00 -0.02 0.00 0.00 56.01 56.64 2wet n LEU 232 Cb 0.18 -0.87 0.03 0.00 -1.62 0.00 0.00 43.42 41.14 2wet n LEU 232 CO 0.31 -0.37 1.10 -0.29 -1.22 0.00 0.00 177.39 176.92 2wet h ILE 233 N -1.00 1.13 0.00 -0.08 6.09 -1.95 0.45 117.51 122.16 2wet h ILE 233 Ca -0.04 -0.25 -0.40 0.00 -1.37 0.00 0.00 64.86 62.80 2wet h ILE 233 Cb 0.65 0.34 -0.06 0.00 0.47 0.00 0.00 36.82 38.22 2wet h ILE 233 CO -0.03 0.13 -2.18 0.59 -3.07 0.00 0.00 178.15 173.59 2wet n ASN 234 N -4.72 1.93 0.06 2.19 4.13 -0.06 -1.54 115.26 117.25 2wet n ASN 234 Ca 0.03 0.36 -0.16 0.00 1.68 0.00 0.00 54.58 56.50 2wet n ASN 234 Cb 0.03 -0.86 -0.07 0.00 -1.54 0.00 0.00 39.78 37.34 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 -1.00 0.51 0.07 3.52 4.20 -0.73 -2.07 115.11 119.60 2wet h GLN 235 Ca -0.60 -0.55 -0.26 0.00 0.06 0.00 0.00 58.65 57.31 2wet h GLN 235 Cb 1.52 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 29.44 2wet h GLN 235 CO -0.36 1.18 -1.36 1.15 -0.67 0.00 0.00 178.83 178.78 2wet h THR 236 N 0.29 0.97 -0.00 -0.54 2.02 -0.81 -3.41 112.91 111.43 2wet h THR 236 Ca -0.10 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 64.78 2wet h THR 236 Cb 1.62 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 70.58 2wet h THR 236 CO 0.18 0.59 -0.65 0.18 0.37 0.00 0.00 175.52 176.19 2wet n LEU 237 N -4.08 0.83 -1.08 2.58 4.77 0.12 -4.97 117.00 115.16 2wet n LEU 237 Ca -0.28 -0.25 -0.13 0.00 -0.03 0.00 0.00 56.01 55.32 2wet n LEU 237 Cb 0.82 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.72 2wet n LEU 237 CO 0.33 0.19 -0.13 0.61 -1.33 0.00 0.00 177.39 177.06 2wet n GLY 238 N 1.48 1.23 3.55 -0.72 0.00 -0.78 -4.96 105.19 105.00 2wet n GLY 238 Ca 0.06 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.30 -0.63 3.72 -0.02 0.00 -0.59 -4.95 105.19 101.43 2wet n GLY 239 Ca -0.14 0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.66 4.53 -0.16 1.61 0.52 -1.26 -4.73 118.95 117.79 2wet s ARG 240 Ca 0.61 1.18 -0.10 0.00 -0.52 0.00 0.00 55.73 56.91 2wet s ARG 240 Cb -0.65 -3.42 -0.05 0.00 0.52 0.00 0.00 34.95 31.36 2wet s ARG 240 CO 0.58 0.11 0.16 0.12 0.02 0.00 0.00 175.30 176.30 2wet s PHE 241 N 0.50 3.49 -0.36 -0.53 5.36 -1.26 -1.33 117.98 123.85 2wet s PHE 241 Ca 0.44 0.45 -0.09 0.00 -0.96 0.00 0.00 56.93 56.77 2wet s PHE 241 Cb -0.20 -2.11 0.03 0.00 -0.34 0.00 0.00 43.02 40.39 2wet s PHE 241 CO 0.24 0.45 0.16 -1.14 -1.46 0.00 0.00 175.22 173.47 2wet s GLN 242 N -0.15 2.78 0.36 10.12 0.74 0.18 -4.92 119.66 128.77 2wet s GLN 242 Ca 0.12 -1.09 -0.25 0.00 0.05 0.00 0.00 55.36 54.18 2wet s GLN 242 Cb -0.12 -3.62 -0.09 0.00 1.10 0.00 0.00 33.01 30.28 2wet s GLN 242 CO 0.01 -0.67 1.00 0.45 -0.55 0.00 0.00 175.29 175.54 2wet s SER 243 N 1.50 7.06 0.00 6.67 0.15 -1.26 -1.25 113.70 126.57 2wet s SER 243 Ca 0.01 1.96 0.18 0.00 0.70 0.00 0.00 55.95 58.80 2wet s SER 243 Cb -0.19 -2.58 0.39 0.00 -1.71 0.00 0.00 66.02 61.92 2wet s SER 243 CO 0.05 -0.27 1.31 0.49 1.20 0.00 0.00 173.24 176.02 2wet n PHE 244 N 0.29 0.51 -0.20 3.44 3.72 -0.53 -4.69 117.46 120.00 2wet n PHE 244 Ca 0.03 -0.32 0.16 0.00 -0.05 0.00 0.00 57.45 57.27 2wet n PHE 244 Cb 0.50 -0.01 0.49 0.00 -0.94 0.00 0.00 39.48 39.52 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 3.52 0.43 -0.54 4.37 0.02 -1.76 0.22 113.55 119.81 2wet h SER 245 Ca 0.00 0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.08 2wet h SER 245 Cb 0.85 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 2wet h SER 245 CO 0.00 0.21 0.37 -2.24 -1.14 0.00 0.00 176.83 174.03 2wet h ASP 246 N 0.45 0.25 0.00 3.07 2.03 -1.98 -3.16 116.42 117.08 2wet h ASP 246 Ca 0.40 0.01 -0.09 0.00 -0.73 0.00 0.00 57.03 56.62 2wet h ASP 246 Cb 0.90 -0.05 -0.02 0.00 -0.83 0.00 0.00 39.33 39.34 2wet h ASP 246 CO -0.14 0.15 -1.52 1.33 -1.03 0.00 0.00 179.24 178.03 2wet n VAL 247 N -4.46 0.34 -3.66 4.15 0.24 -0.39 -4.55 118.33 110.01 2wet n VAL 247 Ca 0.09 -0.30 -0.29 0.00 -2.04 0.00 0.00 64.34 61.79 2wet n VAL 247 Cb 0.41 -0.33 -0.13 0.00 -1.47 0.00 0.00 33.84 32.32 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 -4.22 2.36 0.28 1.34 1.43 0.63 -4.92 118.68 115.58 2wet s LEU 248 Ca -0.04 -2.55 0.25 0.00 -1.03 0.00 0.00 54.13 50.76 2wet s LEU 248 Cb 0.04 -0.91 1.00 0.00 0.03 0.00 0.00 46.19 46.35 2wet s LEU 248 CO 0.37 -0.27 1.74 1.55 0.23 0.00 0.00 176.35 179.96 2wet h PRO 249 N 6.77 0.00 -6.50 1.29 0.13 -1.78 -3.35 132.00 128.56 2wet h PRO 249 Ca 0.01 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 2wet h PRO 249 Cb 0.93 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.12 2wet h PRO 249 CO 0.44 0.00 0.90 0.09 -0.23 0.00 0.00 178.00 179.20 2wet n ASN 250 N -2.32 3.38 0.00 1.44 3.02 -1.26 -4.64 115.26 114.87 2wet n ASN 250 Ca 0.02 1.05 0.00 0.00 -0.03 0.00 0.00 54.58 55.63 2wet n ASN 250 Cb 0.25 -1.45 0.00 0.00 -0.61 0.00 0.00 39.78 37.97 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 4.18 0.35 -3.91 6.41 6.94 -0.26 -4.92 115.26 124.05 2wet n ASN 251 Ca 0.18 -1.04 -0.09 0.00 -0.02 0.00 0.00 54.58 53.61 2wet n ASN 251 Cb 0.31 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.65 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 -0.04 0.89 -0.03 -3.83 0.52 -1.05 -1.32 118.95 114.10 2wet s ARG 252 Ca 0.00 -1.04 -0.12 0.00 -0.52 0.00 0.00 55.73 54.05 2wet s ARG 252 Cb 0.00 0.33 0.02 0.00 0.52 0.00 0.00 34.95 35.82 2wet s ARG 252 CO 0.00 -0.28 0.25 0.00 0.02 0.00 0.00 175.30 175.29 2wet s ALA 253 N -3.89 -0.63 -0.05 2.13 0.00 0.11 -1.57 121.76 117.85 2wet s ALA 253 Ca 0.08 0.29 0.05 0.00 0.00 0.00 0.00 51.96 52.38 2wet s ALA 253 Cb 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 2wet s ALA 253 CO -0.08 -0.22 -0.21 0.54 0.00 0.00 0.00 175.76 175.79 2wet s VAL 254 N -1.04 1.72 0.09 0.00 0.11 -0.77 0.51 120.40 121.01 2wet s VAL 254 Ca -0.11 -0.88 0.06 0.00 -2.93 0.00 0.00 61.98 58.12 2wet s VAL 254 Cb -0.05 -1.46 -0.03 0.00 -1.53 0.00 0.00 36.38 33.30 2wet s VAL 254 CO 0.03 0.48 -0.15 0.00 -3.33 0.00 0.00 175.10 172.13 2wet s ALA 255 N -0.05 1.38 0.09 1.54 0.00 0.25 -0.19 121.76 124.78 2wet s ALA 255 Ca -0.04 -1.13 0.04 0.00 0.00 0.00 0.00 51.96 50.83 2wet s ALA 255 Cb -0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 2wet s ALA 255 CO 0.03 0.18 -0.10 -0.51 0.00 0.00 0.00 175.76 175.36 2wet s LEU 256 N -1.98 2.38 -0.34 0.00 1.43 0.10 -0.98 118.68 119.30 2wet s LEU 256 Ca 0.03 -0.77 -0.06 0.00 -1.03 0.00 0.00 54.13 52.29 2wet s LEU 256 Cb -0.08 -0.30 0.04 0.00 0.03 0.00 0.00 46.19 45.88 2wet s LEU 256 CO 0.03 -0.25 0.10 -0.13 0.23 0.00 0.00 176.35 176.34 2wet s ARG 257 N -2.61 2.59 -0.42 1.70 0.52 -1.26 -1.16 118.95 118.31 2wet s ARG 257 Ca 0.03 -1.21 -0.11 0.00 -0.52 0.00 0.00 55.73 53.93 2wet s ARG 257 Cb -0.04 -3.45 0.07 0.00 0.52 0.00 0.00 34.95 32.05 2wet s ARG 257 CO 0.00 -0.68 0.28 0.08 0.02 0.00 0.00 175.30 175.00 2wet s VAL 258 N 1.39 4.49 0.55 3.52 1.01 0.35 -4.95 120.40 126.76 2wet s VAL 258 Ca -0.02 -1.24 -0.21 0.00 0.00 0.00 0.00 61.98 60.51 2wet s VAL 258 Cb -0.20 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 2wet s VAL 258 CO 0.02 -0.48 1.23 -2.65 0.00 0.00 0.00 175.10 173.22 2wet n PRO 259 N 4.99 1.45 -3.61 2.72 -0.02 -1.26 -0.40 135.00 138.86 2wet n PRO 259 Ca -0.11 0.54 -0.39 0.00 -2.02 0.00 0.00 63.50 61.52 2wet n PRO 259 Cb 0.44 -2.42 -0.11 0.00 -0.02 0.00 0.00 33.50 31.38 2wet n PRO 259 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2wet s ARG 260 N -2.77 3.46 0.16 -0.52 3.52 -0.84 -4.79 118.95 117.15 2wet s ARG 260 Ca 0.72 -0.65 -0.11 0.00 -0.13 0.00 0.00 55.73 55.56 2wet s ARG 260 Cb -0.43 -3.64 0.01 0.00 -1.56 0.00 0.00 34.95 29.33 2wet s ARG 260 CO 0.49 -0.39 1.57 1.49 -0.81 0.00 0.00 175.30 177.65 2wet h GLU 261 N 8.39 0.96 -4.44 5.12 4.81 -1.93 -3.41 114.58 124.09 2wet h GLU 261 Ca -0.32 -0.37 -0.72 0.00 -0.13 0.00 0.00 59.36 57.82 2wet h GLU 261 Cb 1.15 -0.06 -0.27 0.00 0.63 0.00 0.00 28.75 30.20 2wet h GLU 261 CO 0.61 1.04 -0.46 1.21 -0.73 0.00 0.00 179.01 180.68 2wet s ASN 262 N -6.58 5.68 0.42 1.04 3.84 -1.26 -4.97 114.94 113.10 2wet s ASN 262 Ca -0.12 -1.50 0.22 0.00 0.21 0.00 0.00 52.86 51.68 2wet s ASN 262 Cb 0.12 -2.00 1.20 0.00 -0.55 0.00 0.00 41.25 40.02 2wet s ASN 262 CO 0.85 -0.55 1.74 0.44 -2.79 0.00 0.00 177.10 176.80 2wet h ASP 263 N 8.43 0.37 0.19 -4.21 3.32 -1.97 0.61 116.42 123.16 2wet h ASP 263 Ca -0.23 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.91 2wet h ASP 263 Cb 1.08 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2wet h ASP 263 CO 0.77 0.02 -0.07 -0.62 -1.72 0.00 0.00 179.24 177.61 2wet n GLU 264 N -4.62 0.99 0.03 3.56 -0.58 -1.26 -2.37 120.64 116.39 2wet n GLU 264 Ca 0.28 -0.38 0.09 0.00 -0.42 0.00 0.00 57.16 56.73 2wet n GLU 264 Cb 1.03 -1.49 0.39 0.00 -0.57 0.00 0.00 31.44 30.79 2wet n GLU 264 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2wet n ASP 265 N -0.67 0.15 -4.65 1.62 8.00 0.21 -4.85 116.55 116.37 2wet n ASP 265 Ca 0.17 0.53 -0.43 0.00 0.71 0.00 0.00 54.79 55.77 2wet n ASP 265 Cb 0.27 -0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 40.77 2wet n ASP 265 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2wet n MET 266 N -1.66 2.55 -3.65 -1.24 1.56 -1.00 -5.00 117.12 108.68 2wet n MET 266 Ca 0.04 0.89 -0.37 0.00 -0.27 0.00 0.00 57.70 57.99 2wet n MET 266 Cb 0.21 -2.99 -0.06 0.00 2.15 0.00 0.00 33.22 32.53 2wet n MET 266 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 2wet s ARG 267 N 4.85 3.88 -0.19 2.12 0.52 -1.26 -4.57 118.95 124.30 2wet s ARG 267 Ca 0.93 0.10 -0.01 0.00 -0.52 0.00 0.00 55.73 56.23 2wet s ARG 267 Cb -0.46 -3.29 0.11 0.00 0.52 0.00 0.00 34.95 31.83 2wet s ARG 267 CO 0.42 0.56 2.10 -0.35 0.02 0.00 0.00 175.30 178.05 2wet n PRO 268 N 2.51 1.51 -3.58 3.54 -0.04 -1.26 -4.68 135.00 133.00 2wet n PRO 268 Ca -0.15 -0.95 -0.11 0.00 -0.04 0.00 0.00 63.50 62.25 2wet n PRO 268 Cb 0.53 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.99 -0.32 0.24 0.54 -0.85 -1.24 -0.71 117.35 114.02 2wet s TYR 269 Ca 0.21 0.04 -0.17 0.00 -0.52 0.00 0.00 57.07 56.63 2wet s TYR 269 Cb 0.15 0.43 -0.08 0.00 0.38 0.00 0.00 41.96 42.84 2wet s TYR 269 CO -0.01 -0.83 0.70 0.99 -1.52 0.00 0.00 175.55 174.88 2wet s THR 270 N -3.80 4.66 -0.08 -3.49 2.01 -0.92 -4.57 115.64 109.45 2wet s THR 270 Ca 0.04 1.07 0.02 0.00 0.31 0.00 0.00 61.69 63.13 2wet s THR 270 Cb -0.00 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 2wet s THR 270 CO -0.10 0.07 -0.12 -0.89 -0.69 0.00 0.00 174.62 172.89 2wet s THR 271 N -1.68 3.23 -0.29 -0.82 2.01 -0.77 -0.56 115.64 116.76 2wet s THR 271 Ca 0.46 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.84 2wet s THR 271 Cb -0.14 -2.31 0.07 0.00 0.01 0.00 0.00 72.50 70.14 2wet s THR 271 CO 0.20 0.57 -0.04 0.00 -0.69 0.00 0.00 174.62 174.66 2wet s ALA 272 N -0.45 2.72 -0.30 7.40 0.00 0.15 -1.51 121.76 129.76 2wet s ALA 272 Ca 0.06 -2.03 -0.07 0.00 0.00 0.00 0.00 51.96 49.91 2wet s ALA 272 Cb -0.12 -1.78 0.01 0.00 0.00 0.00 0.00 23.12 21.23 2wet s ALA 272 CO 0.02 -1.38 0.10 0.99 0.00 0.00 0.00 175.76 175.49 2wet s THR 273 N 1.06 4.09 0.27 0.00 2.01 -0.12 -1.07 115.64 121.87 2wet s THR 273 Ca -0.02 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.02 2wet s THR 273 Cb -0.20 -3.12 -0.10 0.00 0.01 0.00 0.00 72.50 69.09 2wet s THR 273 CO -0.05 0.06 1.44 0.00 -0.69 0.00 0.00 174.62 175.38 2wet s ALA 274 N 1.52 3.62 0.30 7.40 0.00 0.03 -0.35 121.76 134.29 2wet s ALA 274 Ca 0.03 1.36 0.01 0.00 0.00 0.00 0.00 51.96 53.35 2wet s ALA 274 Cb -0.17 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.38 2wet s ALA 274 CO 0.03 -0.77 0.02 -1.33 0.00 0.00 0.00 175.76 173.71 2wet n MET 275 N 2.07 1.12 0.17 0.00 2.81 0.03 -4.83 117.12 118.50 2wet n MET 275 Ca 0.06 -2.27 0.04 0.00 -1.81 0.00 0.00 57.70 53.72 2wet n MET 275 Cb 0.40 0.74 0.44 0.00 -0.71 0.00 0.00 33.22 34.08 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 0.81 0.10 -0.40 7.83 4.64 -1.99 -3.30 113.55 121.24 2wet h SER 276 Ca -0.25 -0.02 -0.24 0.00 -0.47 0.00 0.00 61.79 60.81 2wet h SER 276 Cb 0.79 -0.03 -0.33 0.00 -0.31 0.00 0.00 62.40 62.52 2wet h SER 276 CO 0.41 0.29 -0.89 0.00 -0.87 0.00 0.00 176.83 175.77 2wet n ALA 277 N -2.49 2.70 0.00 5.18 0.00 -1.26 -4.60 120.51 120.04 2wet n ALA 277 Ca -0.02 -2.32 0.00 0.00 0.00 0.00 0.00 53.44 51.10 2wet n ALA 277 Cb 0.27 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.72 0.04 3.24 0.00 0.00 -1.24 -3.36 105.19 103.16 2wet n GLY 278 Ca 0.01 -1.23 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.63 0.43 -0.09 1.61 1.48 -0.35 -0.79 118.94 117.61 2wet s TRP 279 Ca 0.00 -0.83 0.04 0.00 -1.06 0.00 0.00 56.10 54.25 2wet s TRP 279 Cb 0.00 -0.17 0.00 0.00 -1.16 0.00 0.00 33.47 32.14 2wet s TRP 279 CO 0.00 -0.61 -0.21 1.41 -4.06 0.00 0.00 176.95 173.48 2wet s MET 280 N -3.95 2.66 0.07 3.25 1.75 0.53 -0.36 119.30 123.24 2wet s MET 280 Ca 0.14 -0.77 -0.12 0.00 -1.25 0.00 0.00 55.69 53.69 2wet s MET 280 Cb 0.05 -2.07 -0.06 0.00 2.84 0.00 0.00 34.83 35.59 2wet s MET 280 CO -0.03 0.17 0.43 1.67 -0.65 0.00 0.00 175.02 176.61 2wet s TRP 281 N 0.33 3.63 -0.15 4.11 -2.14 0.02 -0.95 118.94 123.80 2wet s TRP 281 Ca -0.16 0.90 0.01 0.00 2.66 0.00 0.00 56.10 59.51 2wet s TRP 281 Cb -0.17 -2.24 0.02 0.00 -3.10 0.00 0.00 33.47 27.99 2wet s TRP 281 CO 0.07 0.54 -0.15 0.99 -2.66 0.00 0.00 176.95 175.75 2wet s THR 282 N -1.31 1.59 -0.30 0.66 2.01 -0.57 -1.97 115.64 115.75 2wet s THR 282 Ca 0.31 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.69 2wet s THR 282 Cb -0.15 -1.48 0.08 0.00 0.01 0.00 0.00 72.50 70.96 2wet s THR 282 CO 0.17 0.46 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.90 2wet s ILE 283 N 1.42 2.32 -0.44 1.82 1.01 0.66 -1.85 121.20 126.14 2wet s ILE 283 Ca 0.04 -1.91 -0.29 0.00 0.00 0.00 0.00 60.65 58.49 2wet s ILE 283 Cb -0.13 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 39.85 2wet s ILE 283 CO -0.10 -0.28 1.27 -2.84 0.00 0.00 0.00 174.94 172.99 2wet s PRO 284 N 1.04 3.67 0.63 2.79 0.02 -1.26 -0.83 135.00 141.05 2wet s PRO 284 Ca -0.00 0.77 0.06 0.00 0.02 0.00 0.00 61.00 61.85 2wet s PRO 284 Cb -0.20 -3.96 0.10 0.00 0.02 0.00 0.00 34.50 30.47 2wet s PRO 284 CO -0.06 -1.44 0.86 -0.51 -0.33 0.00 0.00 177.00 175.52 2wet s LEU 285 N 4.88 3.06 0.31 -5.54 1.43 0.41 -4.36 118.68 118.86 2wet s LEU 285 Ca 0.54 -0.68 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 2wet s LEU 285 Cb -0.11 -1.75 0.55 0.00 0.03 0.00 0.00 46.19 44.92 2wet s LEU 285 CO 0.31 -1.53 1.93 0.15 0.23 0.00 0.00 176.35 177.44 2wet h PHE 286 N -0.07 1.00 0.00 0.29 -0.00 -0.95 -3.23 116.94 113.97 2wet h PHE 286 Ca -0.32 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 57.68 2wet h PHE 286 Cb 1.28 -0.33 0.00 0.00 -0.00 0.00 0.00 35.95 36.90 2wet h PHE 286 CO 0.20 0.55 0.00 1.63 -0.00 0.00 0.00 178.31 180.69 2wet n LYS 287 N -4.47 0.30 -3.65 1.11 4.76 -1.26 -5.05 118.16 109.90 2wet n LYS 287 Ca 0.12 -0.64 -0.11 0.00 -2.87 0.00 0.00 58.31 54.81 2wet n LYS 287 Cb 0.16 -0.84 -0.05 0.00 -1.84 0.00 0.00 35.03 32.47 2wet n LYS 287 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2wet s ARG 288 N -0.25 1.02 -0.10 1.97 1.70 -1.22 -1.99 118.95 120.09 2wet s ARG 288 Ca 0.00 -0.62 -0.03 0.00 -0.47 0.00 0.00 55.73 54.60 2wet s ARG 288 Cb 0.00 0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 34.79 2wet s ARG 288 CO 0.00 -0.38 0.03 -0.51 -1.08 0.00 0.00 175.30 173.36 2wet s ASP 289 N -2.59 5.50 -0.13 -2.89 1.01 0.46 -0.45 116.67 117.58 2wet s ASP 289 Ca 0.01 0.21 -0.19 0.00 0.71 0.00 0.00 52.55 53.29 2wet s ASP 289 Cb 0.01 -1.63 -0.04 0.00 1.01 0.00 0.00 42.92 42.28 2wet s ASP 289 CO -0.09 0.37 0.51 -0.83 0.21 0.00 0.00 175.17 175.34 2wet s GLY 290 N -0.85 2.35 0.10 0.21 0.00 -0.01 -0.49 107.32 108.62 2wet s GLY 290 Ca 0.13 -0.20 0.09 0.00 0.00 0.00 0.00 44.72 44.74 2wet s GLY 290 CO 0.03 0.87 -0.22 -1.31 0.00 0.00 0.00 173.10 172.46 2wet s ASN 291 N 0.74 2.73 -0.24 1.64 0.01 -0.31 -0.25 114.94 119.26 2wet s ASN 291 Ca 0.27 -0.67 -0.26 0.00 -0.71 0.00 0.00 52.86 51.49 2wet s ASN 291 Cb -0.15 -0.17 0.07 0.00 0.41 0.00 0.00 41.25 41.40 2wet s ASN 291 CO 0.11 0.11 0.72 -0.83 -1.51 0.00 0.00 177.10 175.70 2wet s GLY 292 N -1.80 -0.54 -0.27 0.66 0.00 -0.83 0.01 107.32 104.56 2wet s GLY 292 Ca 0.08 1.96 -0.06 0.00 0.00 0.00 0.00 44.72 46.70 2wet s GLY 292 CO 0.04 1.65 0.05 -0.47 0.00 0.00 0.00 173.10 174.37 2wet s TYR 293 N 0.18 3.09 -0.22 1.90 5.04 0.73 -0.80 117.35 127.27 2wet s TYR 293 Ca -0.01 -0.86 -0.13 0.00 -2.44 0.00 0.00 57.07 53.63 2wet s TYR 293 Cb -0.04 -2.21 -0.05 0.00 0.35 0.00 0.00 41.96 40.01 2wet s TYR 293 CO 0.02 -0.52 0.26 0.08 -1.34 0.00 0.00 175.55 174.05 2wet s VAL 294 N 1.52 5.29 0.23 3.14 1.01 0.52 -1.85 120.40 130.25 2wet s VAL 294 Ca 0.04 0.41 -0.10 0.00 0.00 0.00 0.00 61.98 62.33 2wet s VAL 294 Cb -0.16 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 2wet s VAL 294 CO 0.01 0.31 0.38 -0.72 0.00 0.00 0.00 175.10 175.08 2wet s TYR 295 N 1.12 0.58 -0.24 5.22 -0.85 -0.61 -1.21 117.35 121.35 2wet s TYR 295 Ca 0.12 -0.90 -0.07 0.00 -0.52 0.00 0.00 57.07 55.71 2wet s TYR 295 Cb -0.14 -0.02 -0.03 0.00 0.38 0.00 0.00 41.96 42.16 2wet s TYR 295 CO 0.06 -0.89 0.05 0.45 -1.52 0.00 0.00 175.55 173.69 2wet s SER 296 N -3.06 5.04 0.00 -0.18 0.15 -1.21 -1.10 113.70 113.33 2wet s SER 296 Ca 0.27 -0.21 0.04 0.00 0.70 0.00 0.00 55.95 56.75 2wet s SER 296 Cb 0.01 -1.90 0.21 0.00 -1.71 0.00 0.00 66.02 62.64 2wet s SER 296 CO 0.10 -0.01 1.01 -0.90 1.20 0.00 0.00 173.24 174.64 2wet n ASP 297 N 4.77 0.00 0.23 5.45 5.68 -1.26 -0.99 116.55 130.43 2wet n ASP 297 Ca -0.16 0.29 0.10 0.00 -0.50 0.00 0.00 54.79 54.52 2wet n ASP 297 Cb 0.51 -0.34 0.48 0.00 -1.14 0.00 0.00 41.12 40.63 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 -1.93 -3.34 114.58 114.23 2wet h GLU 298 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2wet h GLU 298 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2wet h GLU 298 CO 0.00 0.21 -0.43 1.19 -0.73 0.00 0.00 179.01 179.25 2wet n PHE 299 N -3.38 0.00 -3.64 0.92 3.72 -0.17 -5.02 117.46 109.90 2wet n PHE 299 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 2wet n PHE 299 Cb 0.42 -0.02 -0.07 0.00 -0.94 0.00 0.00 39.48 38.87 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 -1.55 0.00 0.68 4.37 2.07 -1.15 -4.99 121.20 120.63 2wet s ILE 300 Ca 0.00 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.13 2wet s ILE 300 Cb 0.02 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.62 2wet s ILE 300 CO 0.12 0.00 1.06 -0.94 -1.91 0.00 0.00 174.94 173.28 2wet s SER 301 N 1.08 5.35 0.32 4.50 1.04 -1.26 -4.08 113.70 120.65 2wet s SER 301 Ca -0.06 1.69 0.06 0.00 0.48 0.00 0.00 55.95 58.13 2wet s SER 301 Cb -0.05 -2.51 0.74 0.00 0.10 0.00 0.00 66.02 64.30 2wet s SER 301 CO -0.11 -1.46 1.82 -0.65 0.98 0.00 0.00 173.24 173.82 2wet h PRO 302 N -0.51 0.76 -0.17 4.02 0.11 -1.97 -1.35 132.00 132.89 2wet h PRO 302 Ca -0.44 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.46 2wet h PRO 302 Cb 1.22 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2wet h PRO 302 CO 0.56 0.50 -0.53 1.05 -0.21 0.00 0.00 178.00 179.38 2wet h GLU 303 N 0.78 0.65 -0.60 1.05 9.09 -1.99 -1.17 114.58 122.38 2wet h GLU 303 Ca 0.52 -0.48 0.05 0.00 0.05 0.00 0.00 59.36 59.50 2wet h GLU 303 Cb 0.77 0.08 -0.05 0.00 -1.65 0.00 0.00 28.75 27.90 2wet h GLU 303 CO -0.29 1.10 0.32 0.93 0.05 0.00 0.00 179.01 181.12 2wet h GLU 304 N 0.32 0.59 -0.74 1.06 5.08 -1.89 -0.75 114.58 118.26 2wet h GLU 304 Ca -0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2wet h GLU 304 Cb 1.15 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 2wet h GLU 304 CO 0.11 0.39 0.48 0.00 -1.00 0.00 0.00 179.01 178.99 2wet h ALA 305 N 1.32 0.93 -0.01 3.43 0.00 -1.19 -1.07 119.26 122.68 2wet h ALA 305 Ca 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2wet h ALA 305 Cb 0.17 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2wet h ALA 305 CO -0.18 0.36 0.00 1.49 0.00 0.00 0.00 179.25 180.93 2wet h GLU 306 N 1.00 0.00 -0.63 0.00 4.81 -0.78 -0.52 114.58 118.46 2wet h GLU 306 Ca 0.27 -0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.59 2wet h GLU 306 Cb -0.10 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.21 2wet h GLU 306 CO -0.06 0.00 0.27 0.00 -0.73 0.00 0.00 179.01 178.50 2wet h ARG 307 N 0.00 0.47 -0.44 1.92 3.08 -0.86 0.10 114.38 118.65 2wet h ARG 307 Ca 0.00 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 2wet h ARG 307 Cb 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2wet h ARG 307 CO -0.00 0.31 -0.28 1.49 -1.07 0.00 0.00 179.97 180.41 2wet h GLU 308 N 0.48 0.97 -0.09 0.04 4.81 -1.01 0.10 114.58 119.88 2wet h GLU 308 Ca 0.31 -0.45 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 2wet h GLU 308 Cb 0.35 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2wet h GLU 308 CO -0.28 1.12 0.01 1.25 -0.73 0.00 0.00 179.01 180.38 2wet h LEU 309 N 0.82 -0.02 -0.40 1.64 5.85 -0.55 -2.64 115.31 120.02 2wet h LEU 309 Ca 0.09 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2wet h LEU 309 Cb 0.86 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 2wet h LEU 309 CO 0.08 0.01 0.21 0.03 -0.34 0.00 0.00 178.44 178.42 2wet h ARG 310 N 0.04 0.56 -0.81 1.25 3.08 -0.43 -1.90 114.38 116.19 2wet h ARG 310 Ca 0.04 -0.07 0.15 0.00 0.07 0.00 0.00 59.98 60.17 2wet h ARG 310 Cb 0.04 -0.11 -0.10 0.00 0.08 0.00 0.00 29.97 29.89 2wet h ARG 310 CO -0.06 0.47 0.36 0.77 -1.07 0.00 0.00 179.97 180.44 2wet h SER 311 N 0.51 0.38 0.00 7.04 0.02 -0.79 -0.35 113.55 120.36 2wet h SER 311 Ca 0.14 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 2wet h SER 311 Cb 0.08 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2wet h SER 311 CO -0.02 0.14 -0.08 0.74 -1.14 0.00 0.00 176.83 176.47 2wet h THR 312 N 0.51 1.64 0.00 -2.27 2.02 -1.06 -3.38 112.91 110.36 2wet h THR 312 Ca 0.45 -1.98 -0.09 0.00 0.77 0.00 0.00 66.41 65.57 2wet h THR 312 Cb 0.69 2.96 -0.02 0.00 -1.74 0.00 0.00 68.15 70.04 2wet h THR 312 CO -0.40 0.52 -1.71 1.33 0.37 0.00 0.00 175.52 175.63 2wet n VAL 313 N -4.63 0.33 -2.94 3.16 0.24 -0.76 -4.82 118.33 108.90 2wet n VAL 313 Ca -0.10 -0.39 -0.14 0.00 -2.04 0.00 0.00 64.34 61.67 2wet n VAL 313 Cb 0.44 -0.14 0.03 0.00 -1.47 0.00 0.00 33.84 32.70 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 -2.16 0.46 -1.77 2.33 0.00 -0.43 -5.07 120.51 113.87 2wet n ALA 314 Ca -0.09 -2.35 -0.40 0.00 0.00 0.00 0.00 53.44 50.60 2wet n ALA 314 Cb 0.56 -1.06 0.01 0.00 0.00 0.00 0.00 19.45 18.96 2wet n ALA 314 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wet s PRO 315 N -0.78 3.87 0.00 0.00 0.04 -0.27 -2.60 135.00 135.26 2wet s PRO 315 Ca 0.31 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.77 2wet s PRO 315 Cb 0.29 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 32.06 2wet s PRO 315 CO -0.09 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 176.69 2wet n GLY 316 N 0.57 0.82 2.92 0.56 0.00 -1.26 -4.93 105.19 103.86 2wet n GLY 316 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.04 4.60 0.29 1.61 1.74 -1.07 -4.74 116.66 117.06 2wet n ARG 317 Ca 0.00 -4.59 0.19 0.00 -0.77 0.00 0.00 57.85 52.69 2wet n ARG 317 Cb 0.01 -2.49 0.90 0.00 -1.02 0.00 0.00 32.46 29.85 2wet n ARG 317 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 2wet h ASP 318 N 5.15 0.00 0.31 0.55 2.03 -1.91 -2.11 116.42 120.43 2wet h ASP 318 Ca 0.26 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.56 2wet h ASP 318 Cb 0.56 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.06 2wet h ASP 318 CO 1.29 0.00 0.00 -2.24 -1.03 0.00 0.00 179.24 177.26 2wet h ASP 319 N 0.00 0.00 -3.33 4.15 2.03 -2.00 -3.42 116.42 113.84 2wet h ASP 319 Ca 0.00 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.71 2wet h ASP 319 Cb 0.26 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 38.65 2wet h ASP 319 CO 0.00 0.00 -0.34 -0.76 -1.03 0.00 0.00 179.24 177.11 2wet s LEU 320 N -5.67 4.22 -0.06 0.15 1.43 -0.80 -5.07 118.68 112.89 2wet s LEU 320 Ca -0.02 0.46 -0.23 0.00 -1.03 0.00 0.00 54.13 53.31 2wet s LEU 320 Cb 0.10 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 2wet s LEU 320 CO 0.40 0.08 0.67 -0.70 0.23 0.00 0.00 176.35 177.03 2wet s GLU 321 N 0.60 4.42 0.08 1.70 2.12 -1.26 -5.05 118.70 121.31 2wet s GLU 321 Ca 0.15 0.83 -0.23 0.00 0.36 0.00 0.00 54.97 56.08 2wet s GLU 321 Cb -0.13 -3.43 -0.06 0.00 0.26 0.00 0.00 34.13 30.77 2wet s GLU 321 CO 0.04 0.12 0.71 0.00 -0.54 0.00 0.00 175.26 175.59 2wet s ALA 322 N 0.61 3.45 -0.33 6.30 0.00 -1.26 -4.61 121.76 125.93 2wet s ALA 322 Ca 0.36 0.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.46 2wet s ALA 322 Cb -0.18 -2.88 0.02 0.00 0.00 0.00 0.00 23.12 20.09 2wet s ALA 322 CO 0.18 0.22 0.13 1.21 0.00 0.00 0.00 175.76 177.49 2wet s ASN 323 N -0.62 5.39 -0.11 0.00 2.47 -0.15 -4.92 114.94 117.00 2wet s ASN 323 Ca 0.35 -0.85 -0.14 0.00 0.42 0.00 0.00 52.86 52.64 2wet s ASN 323 Cb -0.21 -1.93 -0.05 0.00 -1.45 0.00 0.00 41.25 37.61 2wet s ASN 323 CO 0.22 -0.27 0.32 -1.00 -3.72 0.00 0.00 177.10 172.65 2wet s HIS 324 N 1.51 3.55 -0.04 0.43 3.76 -1.26 -0.58 115.29 122.66 2wet s HIS 324 Ca 0.02 0.72 0.00 0.00 -0.15 0.00 0.00 55.06 55.65 2wet s HIS 324 Cb -0.18 -2.30 0.03 0.00 1.11 0.00 0.00 32.58 31.24 2wet s HIS 324 CO 0.04 0.40 -0.01 0.42 -0.85 0.00 0.00 174.74 174.74 2wet s ILE 325 N -0.11 0.34 -0.07 0.60 1.01 0.18 -5.00 121.20 118.15 2wet s ILE 325 Ca 0.19 0.03 -0.17 0.00 0.00 0.00 0.00 60.65 60.70 2wet s ILE 325 Cb -0.14 -0.42 -0.05 0.00 0.01 0.00 0.00 42.46 41.86 2wet s ILE 325 CO 0.07 0.20 0.44 -1.10 0.00 0.00 0.00 174.94 174.55 2wet s GLN 326 N 1.20 4.19 0.02 2.79 -0.21 -1.26 0.05 119.66 126.44 2wet s GLN 326 Ca -0.07 0.42 0.03 0.00 0.02 0.00 0.00 55.36 55.76 2wet s GLN 326 Cb -0.14 -3.35 -0.04 0.00 1.00 0.00 0.00 33.01 30.48 2wet s GLN 326 CO -0.02 0.37 -0.03 -1.64 -2.12 0.00 0.00 175.29 171.85 2wet s MET 327 N -0.04 2.61 -0.38 2.91 -1.94 -0.43 -4.97 119.30 117.06 2wet s MET 327 Ca 0.24 -0.72 -0.11 0.00 -1.71 0.00 0.00 55.69 53.39 2wet s MET 327 Cb -0.16 -2.56 0.03 0.00 2.01 0.00 0.00 34.83 34.15 2wet s MET 327 CO 0.11 0.59 0.22 0.50 -0.01 0.00 0.00 175.02 176.43 2wet s ARG 328 N -1.67 2.84 -0.26 2.03 3.52 -1.26 -4.81 118.95 119.33 2wet s ARG 328 Ca 0.20 -1.08 -0.07 0.00 -0.13 0.00 0.00 55.73 54.65 2wet s ARG 328 Cb -0.11 -3.75 -0.01 0.00 -1.56 0.00 0.00 34.95 29.51 2wet s ARG 328 CO 0.11 -0.71 0.06 0.42 -0.81 0.00 0.00 175.30 174.38 2wet s ILE 329 N 1.56 4.12 -5.00 4.11 -1.09 -1.26 -4.33 121.20 119.31 2wet s ILE 329 Ca 0.02 -0.37 0.00 0.00 -2.23 0.00 0.00 60.65 58.07 2wet s ILE 329 Cb -0.19 -2.99 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 2wet s ILE 329 CO 0.07 0.26 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 2wet n GLY 330 N 4.90 0.10 3.30 6.18 0.00 -0.41 -1.45 105.19 117.80 2wet n GLY 330 Ca -0.16 -1.25 -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 0.77 0.26 1.61 1.70 -0.38 -1.18 118.95 119.72 2wet s ARG 331 Ca 0.00 -0.16 -0.31 0.00 -0.47 0.00 0.00 55.73 54.80 2wet s ARG 331 Cb 0.00 0.35 -0.12 0.00 -0.57 0.00 0.00 34.95 34.61 2wet s ARG 331 CO 0.00 -0.23 1.64 -0.80 -1.08 0.00 0.00 175.30 174.83 2wet s ASN 332 N -1.43 6.38 0.25 -2.89 0.01 -0.56 0.48 114.94 117.19 2wet s ASN 332 Ca -0.12 2.91 -0.11 0.00 -0.71 0.00 0.00 52.86 54.83 2wet s ASN 332 Cb -0.04 -2.62 0.37 0.00 0.41 0.00 0.00 41.25 39.37 2wet s ASN 332 CO 0.04 -0.93 1.51 1.21 -1.51 0.00 0.00 177.10 177.42 2wet n GLU 333 N 2.93 -0.14 -4.23 -0.60 2.13 -0.44 -4.42 120.64 115.86 2wet n GLU 333 Ca 0.11 1.51 -0.20 0.00 0.66 0.00 0.00 57.16 59.24 2wet n GLU 333 Cb 0.37 -2.24 -0.16 0.00 0.27 0.00 0.00 31.44 29.67 2wet n GLU 333 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2wet s ARG 334 N -6.11 0.84 0.00 5.31 0.52 -1.26 -4.91 118.95 113.35 2wet s ARG 334 Ca -0.14 -0.17 0.24 0.00 -0.52 0.00 0.00 55.73 55.14 2wet s ARG 334 Cb 0.24 -0.82 0.23 0.00 0.52 0.00 0.00 34.95 35.11 2wet s ARG 334 CO 0.73 -0.01 1.22 0.25 0.02 0.00 0.00 175.30 177.51 2wet n THR 335 N 3.75 0.00 -4.03 0.02 -2.24 -1.26 -4.74 114.28 105.77 2wet n THR 335 Ca -0.23 -0.04 -0.32 0.00 -2.27 0.00 0.00 64.05 61.20 2wet n THR 335 Cb 0.52 0.64 -0.15 0.00 -2.10 0.00 0.00 70.33 69.24 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 -2.88 2.95 -0.06 4.78 -0.11 -1.26 -0.27 118.94 122.07 2wet s TRP 336 Ca 0.12 -2.08 0.02 0.00 1.22 0.00 0.00 56.10 55.39 2wet s TRP 336 Cb 0.17 -1.82 0.01 0.00 -1.50 0.00 0.00 33.47 30.34 2wet s TRP 336 CO 0.72 -0.84 -0.12 0.42 -4.62 0.00 0.00 176.95 172.52 2wet s ILE 337 N 1.21 1.10 0.00 5.86 1.01 -0.07 -4.99 121.20 125.32 2wet s ILE 337 Ca -0.07 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2wet s ILE 337 Cb -0.19 -1.01 0.00 0.00 0.01 0.00 0.00 42.46 41.27 2wet s ILE 337 CO -0.06 0.35 0.00 0.59 0.00 0.00 0.00 174.94 175.82 2wet n ASN 338 N 3.83 0.00 -1.96 3.58 3.02 -1.26 -1.01 115.26 121.46 2wet n ASN 338 Ca -0.23 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.12 2wet n ASN 338 Cb 0.52 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.86 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 5.26 3.70 -4.06 6.41 6.94 -1.26 -4.94 115.26 127.32 2wet n ASN 339 Ca 0.00 -3.67 -0.26 0.00 -0.02 0.00 0.00 54.58 50.63 2wet n ASN 339 Cb 0.00 -0.79 -0.17 0.00 -2.36 0.00 0.00 39.78 36.46 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 0.53 2.27 0.01 0.00 1.01 0.35 -0.89 120.40 123.69 2wet s VAL 341 Ca -0.13 -0.89 -0.25 0.00 0.00 0.00 0.00 61.98 60.71 2wet s VAL 341 Cb -0.15 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 2wet s VAL 341 CO 0.04 0.53 0.76 0.00 0.00 0.00 0.00 175.10 176.43 2wet s ALA 342 N 1.06 3.35 -0.08 5.51 0.00 0.62 -0.57 121.76 131.65 2wet s ALA 342 Ca -0.01 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.23 2wet s ALA 342 Cb -0.14 -3.00 0.01 0.00 0.00 0.00 0.00 23.12 19.99 2wet s ALA 342 CO -0.06 0.01 -0.13 0.08 0.00 0.00 0.00 175.76 175.66 2wet s VAL 343 N 0.22 1.25 0.00 0.00 1.01 -0.77 -4.61 120.40 117.49 2wet s VAL 343 Ca 0.39 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.85 2wet s VAL 343 Cb -0.20 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.04 2wet s VAL 343 CO 0.22 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.31 2wet n GLY 344 N 3.99 0.47 0.22 4.51 0.00 -1.26 -4.41 105.19 108.70 2wet n GLY 344 Ca -0.21 -1.56 0.06 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 -2.08 0.99 3.38 -1.84 0.62 115.31 116.38 2wet h LEU 345 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 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 0.24 0.12 0.77 0.09 0.00 0.00 178.44 179.67 2wet h SER 346 N 0.00 0.00 0.03 -0.43 4.64 -1.56 -3.28 113.55 112.96 2wet h SER 346 Ca -0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.99 2wet h SER 346 Cb 0.48 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.53 2wet h SER 346 CO 0.03 0.00 -1.80 0.00 -0.87 0.00 0.00 176.83 174.19 2wet n ALA 347 N -2.52 0.94 -3.51 5.18 0.00 0.15 -4.78 120.51 115.98 2wet n ALA 347 Ca 0.01 -0.68 -0.09 0.00 0.00 0.00 0.00 53.44 52.68 2wet n ALA 347 Cb 0.25 -0.43 -0.02 0.00 0.00 0.00 0.00 19.45 19.24 2wet n ALA 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wet s ALA 348 N -2.46 -1.83 -0.27 0.00 0.00 -0.84 -1.50 121.76 114.86 2wet s ALA 348 Ca -0.29 1.05 -0.24 0.00 0.00 0.00 0.00 51.96 52.48 2wet s ALA 348 Cb 0.08 0.34 0.08 0.00 0.00 0.00 0.00 23.12 23.62 2wet s ALA 348 CO 0.62 -0.66 0.78 0.12 0.00 0.00 0.00 175.76 176.62 2wet s PHE 349 N -2.97 -0.75 0.20 0.00 5.36 -0.33 -4.02 117.98 115.47 2wet s PHE 349 Ca 0.04 1.80 0.07 0.00 -0.96 0.00 0.00 56.93 57.88 2wet s PHE 349 Cb -0.01 0.31 -0.05 0.00 -0.34 0.00 0.00 43.02 42.94 2wet s PHE 349 CO -0.08 -0.36 -0.13 0.14 -1.46 0.00 0.00 175.22 173.32 2wet s VAL 350 N 0.46 1.67 0.49 3.12 -7.23 -1.26 -1.29 120.40 116.36 2wet s VAL 350 Ca -0.00 -2.19 -0.22 0.00 -1.81 0.00 0.00 61.98 57.75 2wet s VAL 350 Cb -0.05 -2.05 -0.08 0.00 0.56 0.00 0.00 36.38 34.76 2wet s VAL 350 CO -0.02 -0.59 1.05 -1.84 -0.31 0.00 0.00 175.10 173.39 2wet n GLU 351 N -0.37 1.32 -0.09 4.82 0.28 -1.26 -4.82 120.64 120.51 2wet n GLU 351 Ca -0.08 0.48 0.00 0.00 -0.16 0.00 0.00 57.16 57.40 2wet n GLU 351 Cb 0.61 -2.17 0.00 0.00 1.43 0.00 0.00 31.44 31.31 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 -0.29 0.87 0.22 3.44 -0.04 -1.26 -4.36 135.00 133.58 2wet n PRO 352 Ca 0.10 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.62 2wet n PRO 352 Cb 0.42 -1.06 0.55 0.00 -0.04 0.00 0.00 33.50 33.36 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 1.56 0.03 -2.97 1.53 5.85 -2.03 -2.37 115.31 116.91 2wet h LEU 353 Ca 0.00 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2wet h LEU 353 Cb 0.87 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 2wet h LEU 353 CO 0.00 0.13 -0.34 -0.62 -0.34 0.00 0.00 178.44 177.27 2wet n GLU 354 N -4.41 1.35 -3.64 1.25 -0.58 -1.26 -5.00 120.64 108.35 2wet n GLU 354 Ca -0.02 -2.91 -0.22 0.00 -0.42 0.00 0.00 57.16 53.59 2wet n GLU 354 Cb 0.18 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 2wet n GLU 354 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2wet n SER 355 N -1.13 -4.07 -0.05 1.62 3.41 -0.89 -4.93 113.62 107.58 2wet n SER 355 Ca 0.17 -0.86 0.10 0.00 -0.26 0.00 0.00 58.87 58.02 2wet n SER 355 Cb 0.69 -1.36 -0.04 0.00 -0.26 0.00 0.00 64.21 63.24 2wet n SER 355 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2wet n THR 356 N -2.42 0.00 0.16 6.66 -2.24 -1.26 -4.44 114.28 110.74 2wet n THR 356 Ca -0.28 -0.02 -0.14 0.00 -2.27 0.00 0.00 64.05 61.34 2wet n THR 356 Cb 0.59 0.90 -0.07 0.00 -2.10 0.00 0.00 70.33 69.65 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 4.99 -0.68 1.76 3.38 0.00 -1.91 0.65 103.07 111.26 2wet h GLY 357 Ca 0.00 0.38 -0.09 0.00 0.00 0.00 0.00 47.33 47.62 2wet h GLY 357 CO 0.00 -0.26 -0.30 -2.22 0.00 0.00 0.00 176.54 173.76 2wet h ILE 358 N -0.61 1.26 -0.04 2.60 5.03 -1.83 -2.44 117.51 121.48 2wet h ILE 358 Ca 0.01 -1.25 -0.00 0.00 -0.12 0.00 0.00 64.86 63.49 2wet h ILE 358 Cb 0.59 1.49 -0.00 0.00 -3.03 0.00 0.00 36.82 35.87 2wet h ILE 358 CO -0.13 0.38 0.02 0.15 -0.68 0.00 0.00 178.15 177.89 2wet h PHE 359 N 0.24 0.06 -0.92 1.37 3.57 -1.65 0.11 116.94 119.73 2wet h PHE 359 Ca 0.03 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.67 2wet h PHE 359 Cb 0.66 -0.02 -0.09 0.00 2.79 0.00 0.00 35.95 39.29 2wet h PHE 359 CO 0.01 0.17 0.53 0.74 -2.23 0.00 0.00 178.31 177.54 2wet h PHE 360 N -0.07 0.94 0.46 0.41 0.04 -0.76 0.31 116.94 118.27 2wet h PHE 360 Ca 0.01 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 2wet h PHE 360 Cb 0.14 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.01 2wet h PHE 360 CO -0.03 0.29 -0.22 0.82 -0.60 0.00 0.00 178.31 178.57 2wet h ILE 361 N 0.78 0.48 -0.32 -0.55 2.04 -1.05 -0.94 117.51 117.96 2wet h ILE 361 Ca 0.49 -0.39 0.07 0.00 1.00 0.00 0.00 64.86 66.02 2wet h ILE 361 Cb 0.61 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 2wet h ILE 361 CO -0.32 0.06 -0.13 -0.61 0.00 0.00 0.00 178.15 177.15 2wet h GLN 362 N -0.87 -0.07 -0.66 2.37 4.15 -0.48 -0.87 115.11 118.68 2wet h GLN 362 Ca -0.06 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.29 2wet h GLN 362 Cb 0.57 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.25 2wet h GLN 362 CO 0.10 -0.04 0.14 1.25 -1.93 0.00 0.00 178.83 178.35 2wet h HIS 363 N -0.07 1.13 -0.83 3.99 2.76 -0.40 -0.10 115.15 121.62 2wet h HIS 363 Ca 0.16 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2wet h HIS 363 Cb 0.31 -0.32 -0.04 0.00 1.55 0.00 0.00 27.41 28.92 2wet h HIS 363 CO -0.34 0.94 0.48 0.00 -1.30 0.00 0.00 177.93 177.71 2wet h ALA 364 N 1.06 1.29 -0.02 5.26 0.00 -0.76 -1.50 119.26 124.58 2wet h ALA 364 Ca 0.21 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 2wet h ALA 364 Cb 0.39 -0.34 0.02 0.00 0.00 0.00 0.00 17.79 17.86 2wet h ALA 364 CO 0.01 0.60 -0.83 0.82 0.00 0.00 0.00 179.25 179.85 2wet h ILE 365 N 1.15 1.34 -0.48 0.00 2.04 -0.84 -1.14 117.51 119.57 2wet h ILE 365 Ca 0.30 -2.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.00 2wet h ILE 365 Cb -0.02 2.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 2wet h ILE 365 CO -0.05 0.65 0.17 -0.33 0.00 0.00 0.00 178.15 178.59 2wet h GLU 366 N 0.21 0.73 0.00 2.37 5.08 -0.97 -1.70 114.58 120.30 2wet h GLU 366 Ca -0.10 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 2wet h GLU 366 Cb 1.50 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 2wet h GLU 366 CO 0.16 0.67 -0.30 1.96 -1.00 0.00 0.00 179.01 180.51 2wet h GLN 367 N 0.64 0.00 -0.22 2.33 1.08 -1.33 -2.13 115.11 115.49 2wet h GLN 367 Ca 0.16 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.20 2wet h GLN 367 Cb 0.23 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2wet h GLN 367 CO -0.01 0.30 -0.50 1.25 -0.95 0.00 0.00 178.83 178.92 2wet h LEU 368 N 0.00 0.65 -0.18 1.46 5.85 -0.90 0.62 115.31 122.82 2wet h LEU 368 Ca -0.00 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 2wet h LEU 368 Cb 0.73 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2wet h LEU 368 CO 0.04 1.04 0.07 0.58 -0.34 0.00 0.00 178.44 179.83 2wet h VAL 369 N 0.47 1.17 -0.43 1.05 2.07 -0.90 0.12 116.25 119.80 2wet h VAL 369 Ca 0.02 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 2wet h VAL 369 Cb 1.04 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 2wet h VAL 369 CO 0.10 0.17 0.17 0.11 0.02 0.00 0.00 177.57 178.14 2wet h LYS 370 N 0.13 0.61 -0.64 1.57 1.57 -1.32 -2.46 116.57 116.05 2wet h LYS 370 Ca 0.06 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 58.58 2wet h LYS 370 Cb 0.20 -0.12 -0.10 0.00 0.08 0.00 0.00 32.23 32.29 2wet h LYS 370 CO -0.00 0.51 0.19 0.72 -0.57 0.00 0.00 179.45 180.30 2wet n HIS 371 N -4.37 2.13 -1.79 -1.35 8.25 0.20 -5.01 115.22 113.29 2wet n HIS 371 Ca 0.03 -1.18 -0.41 0.00 -0.26 0.00 0.00 57.72 55.90 2wet n HIS 371 Cb 0.15 -0.62 -0.01 0.00 1.12 0.00 0.00 29.99 30.63 2wet n HIS 371 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2wet s PHE 372 N -2.99 2.71 0.33 4.41 5.36 0.41 -4.87 117.98 123.34 2wet s PHE 372 Ca 0.53 0.88 -0.15 0.00 -0.96 0.00 0.00 56.93 57.23 2wet s PHE 372 Cb 0.42 -4.05 -0.09 0.00 -0.34 0.00 0.00 43.02 38.96 2wet s PHE 372 CO 0.12 -3.43 0.74 -1.25 -1.46 0.00 0.00 175.22 169.94 2wet s PRO 373 N -0.90 4.00 0.54 10.12 0.04 -1.26 -5.07 135.00 142.47 2wet s PRO 373 Ca 0.61 0.67 0.04 0.00 0.04 0.00 0.00 61.00 62.36 2wet s PRO 373 Cb -0.47 -2.43 0.10 0.00 0.04 0.00 0.00 34.50 31.74 2wet s PRO 373 CO 0.52 0.15 0.75 0.41 0.04 0.00 0.00 177.00 178.87 2wet n GLY 374 N -0.39 1.35 0.32 0.56 0.00 -1.26 -4.37 105.19 101.40 2wet n GLY 374 Ca 0.04 -2.12 0.17 0.00 0.00 0.00 0.00 46.02 44.11 2wet n GLY 374 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2wet h GLU 375 N 0.00 0.00 0.00 1.61 5.08 -1.97 -0.74 114.58 118.56 2wet h GLU 375 Ca -0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 2wet h GLU 375 Cb 1.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 2wet h GLU 375 CO 0.31 0.00 -0.04 0.07 -1.00 0.00 0.00 179.01 178.35 2wet h ARG 376 N 0.00 0.00 -6.71 2.33 0.11 -2.00 -3.48 114.38 104.64 2wet h ARG 376 Ca 0.02 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.56 2wet h ARG 376 Cb 0.17 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 31.13 2wet h ARG 376 CO -0.00 0.04 -0.91 0.91 0.10 0.00 0.00 179.97 180.11 2wet n TRP 377 N -3.15 -1.53 -1.24 4.08 7.02 -0.28 -4.72 117.44 117.62 2wet n TRP 377 Ca 0.01 0.71 -0.55 0.00 -1.02 0.00 0.00 57.50 56.65 2wet n TRP 377 Cb 0.35 -3.37 -0.12 0.00 -2.42 0.00 0.00 31.31 25.75 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 -2.93 0.65 0.24 -0.99 2.03 -1.26 -4.82 116.55 109.47 2wet n ASP 378 Ca -0.28 0.57 0.15 0.00 0.52 0.00 0.00 54.79 55.75 2wet n ASP 378 Cb 0.67 -0.87 0.52 0.00 -0.72 0.00 0.00 41.12 40.73 2wet n ASP 378 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2wet h PRO 379 N 9.16 0.00 -0.36 -0.67 0.13 -2.00 -2.53 132.00 135.73 2wet h PRO 379 Ca -0.09 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.88 2wet h PRO 379 Cb 1.35 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 2wet h PRO 379 CO 1.10 0.00 -0.40 0.28 -0.23 0.00 0.00 178.00 178.75 2wet h VAL 380 N 0.00 1.27 -0.68 1.56 2.07 -1.99 -1.15 116.25 117.33 2wet h VAL 380 Ca 0.00 -1.57 -0.06 0.00 0.82 0.00 0.00 66.70 65.88 2wet h VAL 380 Cb 0.62 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 2wet h VAL 380 CO 0.00 0.52 0.18 0.25 0.02 0.00 0.00 177.57 178.54 2wet h LEU 381 N 0.72 1.01 -0.39 2.57 5.85 -1.88 -1.95 115.31 121.23 2wet h LEU 381 Ca 0.05 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2wet h LEU 381 Cb 1.00 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 2wet h LEU 381 CO 0.10 0.96 0.19 0.40 -0.34 0.00 0.00 178.44 179.75 2wet h ILE 382 N 1.02 1.17 0.00 4.05 2.04 -1.29 -2.25 117.51 122.25 2wet h ILE 382 Ca 0.22 -0.48 -0.08 0.00 1.00 0.00 0.00 64.86 65.52 2wet h ILE 382 Cb 0.34 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2wet h ILE 382 CO -0.00 0.18 -0.38 0.77 0.00 0.00 0.00 178.15 178.72 2wet h SER 383 N 0.50 0.00 -0.37 1.72 4.64 -1.01 -1.63 113.55 117.40 2wet h SER 383 Ca 0.14 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.34 2wet h SER 383 Cb 0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2wet h SER 383 CO -0.02 0.38 -0.18 0.00 -0.87 0.00 0.00 176.83 176.14 2wet h ALA 384 N 1.62 0.86 -0.07 5.18 0.00 -1.24 -1.35 119.26 124.27 2wet h ALA 384 Ca -0.00 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.56 2wet h ALA 384 Cb 0.94 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2wet h ALA 384 CO 0.05 0.64 -0.03 -0.92 0.00 0.00 0.00 179.25 178.99 2wet h TYR 385 N 0.74 -0.06 -0.94 0.00 3.20 -0.76 -2.47 116.97 116.68 2wet h TYR 385 Ca 0.11 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.99 2wet h TYR 385 Cb 0.71 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.97 2wet h TYR 385 CO 0.04 -0.04 0.62 -0.91 -1.64 0.00 0.00 178.16 176.22 2wet h ASN 386 N -0.02 1.08 -0.44 -2.11 2.35 -1.18 -2.06 115.58 113.21 2wet h ASN 386 Ca 0.04 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2wet h ASN 386 Cb 0.07 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 2wet h ASN 386 CO -0.08 0.79 0.24 -0.33 -1.65 0.00 0.00 177.43 176.40 2wet h GLU 387 N 1.28 0.61 -0.31 0.81 4.39 -1.16 -1.33 114.58 118.87 2wet h GLU 387 Ca 0.34 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 60.01 2wet h GLU 387 Cb -0.14 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.35 2wet h GLU 387 CO -0.07 0.49 0.07 0.00 -1.16 0.00 0.00 179.01 178.34 2wet h ARG 388 N 0.57 0.18 -0.41 2.33 3.08 -1.08 -0.35 114.38 118.70 2wet h ARG 388 Ca 0.15 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.08 2wet h ARG 388 Cb 0.06 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2wet h ARG 388 CO -0.02 0.12 -0.21 0.52 -1.07 0.00 0.00 179.97 179.31 2wet h MET 389 N 0.19 0.81 -0.03 0.04 2.86 -1.35 -0.75 114.93 116.70 2wet h MET 389 Ca 0.14 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2wet h MET 389 Cb 0.15 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 2wet h MET 389 CO -0.18 0.94 0.01 0.00 1.06 0.00 0.00 176.91 178.74 2wet h ALA 390 N 1.06 0.03 -0.87 6.32 0.00 -1.02 -2.91 119.26 121.87 2wet h ALA 390 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2wet h ALA 390 Cb 0.72 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2wet h ALA 390 CO 0.06 -0.48 0.52 0.45 0.00 0.00 0.00 179.25 179.80 2wet h HIS 391 N 0.02 1.15 -0.51 0.00 -0.00 -0.81 -0.95 115.15 114.05 2wet h HIS 391 Ca 0.01 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.45 2wet h HIS 391 Cb 0.01 -0.38 -0.06 0.00 -0.00 0.00 0.00 27.41 26.98 2wet h HIS 391 CO -0.09 0.77 0.18 1.98 -0.00 0.00 0.00 177.93 180.78 2wet h MET 392 N 1.20 0.35 0.18 2.45 -1.53 -1.03 -1.41 114.93 115.15 2wet h MET 392 Ca 0.31 -0.02 -0.30 0.00 -3.44 0.00 0.00 59.70 56.25 2wet h MET 392 Cb -0.05 -0.08 0.03 0.00 -0.55 0.00 0.00 31.60 30.96 2wet h MET 392 CO -0.06 0.23 -1.30 0.28 0.14 0.00 0.00 176.91 176.20 2wet h VAL 393 N 0.36 1.30 -0.27 -5.77 2.07 -1.30 -3.19 116.25 109.46 2wet h VAL 393 Ca 0.25 -2.56 -0.04 0.00 0.82 0.00 0.00 66.70 65.16 2wet h VAL 393 Cb 0.27 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.92 2wet h VAL 393 CO -0.25 0.77 -0.02 0.44 0.02 0.00 0.00 177.57 178.53 2wet h ASP 394 N 0.15 0.38 -0.30 0.57 3.32 -0.99 -0.24 116.42 119.31 2wet h ASP 394 Ca -0.21 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.74 2wet h ASP 394 Cb 2.00 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 41.44 2wet h ASP 394 CO 0.25 0.46 0.08 1.23 -1.72 0.00 0.00 179.24 179.54 2wet h GLY 395 N 0.74 0.51 1.13 2.75 0.00 -1.34 -1.61 103.07 105.25 2wet h GLY 395 Ca 0.09 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 2wet h GLY 395 CO 0.01 0.29 0.06 -2.08 0.00 0.00 0.00 176.54 174.82 2wet h VAL 396 N 0.32 1.26 -0.39 4.60 2.07 -1.47 -0.95 116.25 121.69 2wet h VAL 396 Ca 0.10 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 66.57 2wet h VAL 396 Cb 0.27 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 2wet h VAL 396 CO -0.00 0.40 0.18 0.50 0.02 0.00 0.00 177.57 178.67 2wet h LYS 397 N 0.98 0.37 -0.52 1.57 3.64 -0.84 0.55 116.57 122.32 2wet h LYS 397 Ca 0.19 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2wet h LYS 397 Cb 0.49 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2wet h LYS 397 CO 0.02 0.24 0.20 1.49 -2.27 0.00 0.00 179.45 179.13 2wet h GLU 398 N 0.38 0.78 -0.63 1.90 4.81 -1.12 -1.72 114.58 118.98 2wet h GLU 398 Ca 0.17 -0.15 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 2wet h GLU 398 Cb 0.09 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 2wet h GLU 398 CO -0.13 0.70 0.36 0.35 -0.73 0.00 0.00 179.01 179.55 2wet h PHE 399 N 0.70 0.66 -0.31 0.92 3.57 -0.23 -2.57 116.94 119.68 2wet h PHE 399 Ca 0.17 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 2wet h PHE 399 Cb 0.21 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2wet h PHE 399 CO 0.01 0.33 0.01 -0.07 -2.23 0.00 0.00 178.31 176.36 2wet h LEU 400 N 0.68 0.53 -1.33 0.59 3.38 0.33 -2.81 115.31 116.67 2wet h LEU 400 Ca 0.28 -0.30 0.11 0.00 0.09 0.00 0.00 57.88 58.05 2wet h LEU 400 Cb 0.13 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 2wet h LEU 400 CO -0.16 0.70 0.53 0.58 0.09 0.00 0.00 178.44 180.19 2wet h VAL 401 N 0.34 0.93 -0.84 1.22 2.07 -1.18 -0.26 116.25 118.53 2wet h VAL 401 Ca 0.09 -0.25 0.12 0.00 0.82 0.00 0.00 66.70 67.48 2wet h VAL 401 Cb 0.42 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 2wet h VAL 401 CO 0.01 0.13 0.55 0.25 0.02 0.00 0.00 177.57 178.54 2wet h LEU 402 N 0.73 0.64 -0.14 2.57 5.85 -1.20 0.76 115.31 124.53 2wet h LEU 402 Ca 0.38 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.13 2wet h LEU 402 Cb 0.50 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2wet h LEU 402 CO -0.15 0.35 0.06 0.45 -0.34 0.00 0.00 178.44 178.81 2wet h HIS 403 N 0.69 0.21 -0.33 1.25 3.86 -0.95 0.91 115.15 120.79 2wet h HIS 403 Ca 0.41 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.51 2wet h HIS 403 Cb 0.61 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 2wet h HIS 403 CO -0.00 0.26 -0.21 1.88 0.86 0.00 0.00 177.93 180.72 2wet h TYR 404 N 0.09 0.71 0.00 2.45 0.05 -1.22 -1.27 116.97 117.78 2wet h TYR 404 Ca 0.05 -0.15 -0.08 0.00 0.05 0.00 0.00 58.73 58.60 2wet h TYR 404 Cb 0.14 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 2wet h TYR 404 CO -0.02 0.80 -0.36 0.87 -1.05 0.00 0.00 178.16 178.39 2wet h LYS 405 N 0.56 0.00 0.01 4.88 1.79 -0.77 -3.19 116.57 119.86 2wet h LYS 405 Ca 0.08 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.33 2wet h LYS 405 Cb 0.67 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.30 2wet h LYS 405 CO 0.05 0.36 -1.07 0.78 -1.08 0.00 0.00 179.45 178.49 2wet h GLY 406 N 2.35 0.04 -5.27 3.86 0.00 -0.44 -3.46 103.07 100.15 2wet h GLY 406 Ca -0.00 -0.09 -0.58 0.00 0.00 0.00 0.00 47.33 46.66 2wet h GLY 406 CO 0.05 0.08 1.00 0.00 0.00 0.00 0.00 176.54 177.67 2wet n ALA 407 N -2.39 1.42 0.91 3.60 0.00 -0.51 -4.33 120.51 119.22 2wet n ALA 407 Ca -0.02 0.35 0.12 0.00 0.00 0.00 0.00 53.44 53.89 2wet n ALA 407 Cb 0.96 -2.48 0.21 0.00 0.00 0.00 0.00 19.45 18.14 2wet n ALA 407 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wet n GLN 408 N 5.25 0.06 -2.25 0.00 1.13 -1.14 -4.92 117.38 115.50 2wet n GLN 408 Ca 0.19 0.01 -0.38 0.00 -1.94 0.00 0.00 57.00 54.88 2wet n GLN 408 Cb 0.32 -1.53 -0.02 0.00 0.11 0.00 0.00 30.24 29.12 2wet n GLN 408 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2wet s ARG 409 N -3.04 3.99 0.00 -1.09 1.70 -1.13 -4.96 118.95 114.42 2wet s ARG 409 Ca 0.10 1.87 0.08 0.00 -0.47 0.00 0.00 55.73 57.32 2wet s ARG 409 Cb 0.17 -2.64 0.14 0.00 -0.57 0.00 0.00 34.95 32.04 2wet s ARG 409 CO 0.71 -0.39 1.04 0.39 -1.08 0.00 0.00 175.30 175.98 2wet n GLU 410 N -0.01 0.00 0.21 3.89 1.02 -1.26 -4.69 120.64 119.79 2wet n GLU 410 Ca 0.05 -1.30 0.07 0.00 -0.02 0.00 0.00 57.16 55.95 2wet n GLU 410 Cb 0.46 -0.31 0.44 0.00 -0.02 0.00 0.00 31.44 32.01 2wet n GLU 410 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2wet h ASP 411 N 0.33 0.00 -2.67 1.62 2.03 -1.93 -3.40 116.42 112.41 2wet h ASP 411 Ca -0.08 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.69 2wet h ASP 411 Cb 1.55 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.91 2wet h ASP 411 CO 0.03 0.31 -0.72 0.42 -1.03 0.00 0.00 179.24 178.25 2wet s THR 412 N -3.91 2.00 0.49 1.15 -4.23 -1.26 -5.02 115.64 104.86 2wet s THR 412 Ca -0.01 -2.25 0.24 0.00 -1.18 0.00 0.00 61.69 58.49 2wet s THR 412 Cb 0.12 -2.30 0.41 0.00 1.34 0.00 0.00 72.50 72.07 2wet s THR 412 CO 0.67 -0.41 1.93 -0.65 -0.54 0.00 0.00 174.62 175.62 2wet h PRO 413 N 2.33 0.14 -0.41 3.99 0.11 -1.88 -0.52 132.00 135.76 2wet h PRO 413 Ca -0.40 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.64 2wet h PRO 413 Cb 1.24 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2wet h PRO 413 CO 0.64 0.09 0.01 -0.92 -0.21 0.00 0.00 178.00 177.61 2wet h TYR 414 N 0.15 0.79 -0.02 0.65 3.20 -1.95 -1.36 116.97 118.43 2wet h TYR 414 Ca 0.36 -0.13 -0.20 0.00 3.14 0.00 0.00 58.73 61.89 2wet h TYR 414 Cb 1.19 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 2wet h TYR 414 CO -0.00 0.79 -0.85 -1.49 -1.64 0.00 0.00 178.16 174.96 2wet h TRP 415 N 0.56 0.43 -0.70 -3.82 4.06 -1.41 -1.80 115.95 113.27 2wet h TRP 415 Ca 0.12 -0.22 -0.02 0.00 2.06 0.00 0.00 58.89 60.83 2wet h TRP 415 Cb 0.46 -0.05 -0.03 0.00 -1.00 0.00 0.00 29.16 28.54 2wet h TRP 415 CO 0.04 1.02 0.35 0.87 -3.56 0.00 0.00 178.44 177.15 2wet h LYS 416 N 0.18 0.99 -0.03 0.49 1.57 -1.25 -3.00 116.57 115.51 2wet h LYS 416 Ca -0.05 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.46 2wet h LYS 416 Cb 1.47 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 2wet h LYS 416 CO 0.14 0.77 -0.59 0.00 -0.57 0.00 0.00 179.45 179.19 2wet h ALA 417 N 1.17 0.95 0.00 3.86 0.00 -1.10 -2.69 119.26 121.45 2wet h ALA 417 Ca 0.24 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2wet h ALA 417 Cb 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wet h ALA 417 CO -0.03 0.73 -0.05 0.00 0.00 0.00 0.00 179.25 179.89 2wet h ALA 418 N 1.31 1.24 0.05 0.00 0.00 -1.20 -1.79 119.26 118.88 2wet h ALA 418 Ca -0.01 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 2wet h ALA 418 Cb 1.07 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2wet h ALA 418 CO 0.08 0.07 -1.21 -0.22 0.00 0.00 0.00 179.25 177.97 2wet h LYS 419 N 0.00 0.12 -0.02 0.00 3.64 -1.38 -3.31 116.57 115.61 2wet h LYS 419 Ca -0.00 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2wet h LYS 419 Cb 0.21 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2wet h LYS 419 CO 0.01 1.03 -0.11 0.25 -2.27 0.00 0.00 179.45 178.36 2wet n THR 420 N -3.39 0.00 -1.93 1.00 -2.24 -1.12 -5.02 114.28 101.58 2wet n THR 420 Ca -0.06 -0.44 -0.35 0.00 -2.27 0.00 0.00 64.05 60.92 2wet n THR 420 Cb 0.99 1.31 0.04 0.00 -2.10 0.00 0.00 70.33 70.56 2wet n THR 420 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2wet s ARG 421 N -1.60 2.90 0.74 -0.78 3.52 -0.69 -4.97 118.95 118.08 2wet s ARG 421 Ca 0.18 1.68 -0.14 0.00 -0.13 0.00 0.00 55.73 57.32 2wet s ARG 421 Cb 0.14 -1.94 0.05 0.00 -1.56 0.00 0.00 34.95 31.64 2wet s ARG 421 CO 0.28 -1.23 1.16 0.00 -0.81 0.00 0.00 175.30 174.70 2wet s ALA 422 N -1.84 2.13 0.23 6.12 0.00 -1.26 -5.04 121.76 122.10 2wet s ALA 422 Ca 0.74 0.68 0.11 0.00 0.00 0.00 0.00 51.96 53.49 2wet s ALA 422 Cb -0.27 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 2wet s ALA 422 CO 0.35 -1.83 -0.20 -1.64 0.00 0.00 0.00 175.76 172.44 2wet s MET 423 N -4.17 1.53 0.81 0.00 -1.94 -1.26 -4.65 119.30 109.62 2wet s MET 423 Ca 0.70 -1.63 -0.12 0.00 -1.71 0.00 0.00 55.69 52.92 2wet s MET 423 Cb -0.25 -1.63 0.08 0.00 2.01 0.00 0.00 34.83 35.05 2wet s MET 423 CO 0.47 0.32 1.16 -2.14 -0.01 0.00 0.00 175.02 174.81 2wet s PRO 424 N -3.23 1.74 0.31 2.03 0.02 -1.26 -4.94 135.00 129.67 2wet s PRO 424 Ca 0.25 1.55 -0.30 0.00 0.02 0.00 0.00 61.00 62.52 2wet s PRO 424 Cb -0.05 -1.81 -0.11 0.00 0.02 0.00 0.00 34.50 32.55 2wet s PRO 424 CO 0.11 -2.09 1.58 -0.51 -0.33 0.00 0.00 177.00 175.76 2wet s ASP 425 N -2.57 6.36 0.00 2.53 -0.00 -1.26 -2.84 116.67 118.89 2wet s ASP 425 Ca 0.68 2.98 0.00 0.00 -0.00 0.00 0.00 52.55 56.21 2wet s ASP 425 Cb -0.24 -2.64 0.00 0.00 -0.00 0.00 0.00 42.92 40.04 2wet s ASP 425 CO 0.52 -0.92 0.00 0.61 -0.00 0.00 0.00 175.17 175.38 2wet n GLY 426 N 1.91 3.02 0.25 0.21 0.00 -1.26 -4.90 105.19 104.41 2wet n GLY 426 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 0.82 -0.98 0.99 5.85 -1.90 -2.94 115.31 117.14 2wet h LEU 427 Ca 0.00 -0.29 0.13 0.00 0.84 0.00 0.00 57.88 58.56 2wet h LEU 427 Cb 0.00 -0.22 -0.09 0.00 0.37 0.00 0.00 40.66 40.72 2wet h LEU 427 CO 0.00 0.90 0.60 0.00 -0.34 0.00 0.00 178.44 179.60 2wet h ALA 428 N 0.94 1.50 -0.62 1.25 0.00 -1.91 -0.41 119.26 120.02 2wet h ALA 428 Ca 0.14 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2wet h ALA 428 Cb 0.47 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2wet h ALA 428 CO 0.02 0.14 0.06 -0.09 0.00 0.00 0.00 179.25 179.38 2wet h ARG 429 N 0.91 1.06 -0.81 0.00 9.65 -1.94 0.63 114.38 123.87 2wet h ARG 429 Ca 0.50 -0.31 -0.01 0.00 -1.10 0.00 0.00 59.98 59.07 2wet h ARG 429 Cb 0.57 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.00 2wet h ARG 429 CO -0.30 1.00 0.47 0.87 2.80 0.00 0.00 179.97 184.82 2wet h LYS 430 N 0.96 1.11 -0.02 0.20 1.57 -0.97 -0.55 116.57 118.86 2wet h LYS 430 Ca 0.18 -0.11 -0.21 0.00 -1.87 0.00 0.00 60.65 58.64 2wet h LYS 430 Cb 0.49 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2wet h LYS 430 CO 0.02 0.79 -0.88 -0.07 -0.57 0.00 0.00 179.45 178.74 2wet h LEU 431 N 1.12 0.49 -1.28 2.94 3.38 -0.81 -1.65 115.31 119.50 2wet h LEU 431 Ca 0.29 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2wet h LEU 431 Cb -0.02 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 2wet h LEU 431 CO -0.05 1.16 0.49 -0.33 0.09 0.00 0.00 178.44 179.80 2wet h GLU 432 N 0.23 0.95 -0.16 1.13 5.08 -0.56 -2.22 114.58 119.04 2wet h GLU 432 Ca -0.06 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 2wet h GLU 432 Cb 1.50 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2wet h GLU 432 CO 0.15 0.63 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.42 2wet h LEU 433 N 0.98 0.54 -2.24 1.33 3.38 -1.04 -3.21 115.31 115.05 2wet h LEU 433 Ca 0.28 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2wet h LEU 433 Cb -0.07 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2wet h LEU 433 CO -0.07 0.99 0.00 0.28 0.09 0.00 0.00 178.44 179.73 2wet h SER 434 N 0.12 0.00 1.69 -0.43 0.02 -0.79 0.18 113.55 114.33 2wet h SER 434 Ca 0.01 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 2wet h SER 434 Cb 0.89 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 2wet h SER 434 CO 0.07 0.00 -0.20 0.00 -1.14 0.00 0.00 176.83 175.56 2wet h ALA 435 N 2.01 0.88 0.05 3.77 0.00 -1.42 -3.15 119.26 121.41 2wet h ALA 435 Ca 0.00 -0.18 -0.34 0.00 0.00 0.00 0.00 54.91 54.39 2wet h ALA 435 Cb 0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2wet h ALA 435 CO 0.00 0.25 -1.88 0.45 0.00 0.00 0.00 179.25 178.07 2wet n SER 436 N -3.17 1.99 -3.64 0.00 2.88 0.41 -0.05 113.62 112.05 2wet n SER 436 Ca 0.03 0.26 -0.03 0.00 -1.33 0.00 0.00 58.87 57.80 2wet n SER 436 Cb 0.58 -0.84 -0.01 0.00 -0.75 0.00 0.00 64.21 63.19 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 -2.48 -0.15 0.41 0.66 0.00 0.11 -4.54 115.29 109.31 2wet s HIS 437 Ca -0.29 -0.02 -0.25 0.00 -3.00 0.00 0.00 55.06 51.50 2wet s HIS 437 Cb 0.08 0.57 -0.08 0.00 -4.00 0.00 0.00 32.58 29.15 2wet s HIS 437 CO 0.65 -0.50 1.25 -0.51 -1.00 0.00 0.00 174.74 174.62 2wet s LEU 438 N -2.73 4.17 0.67 5.38 1.43 -1.26 -3.64 118.68 122.71 2wet s LEU 438 Ca 0.11 2.52 -0.16 0.00 -1.03 0.00 0.00 54.13 55.57 2wet s LEU 438 Cb 0.01 -3.99 0.01 0.00 0.03 0.00 0.00 46.19 42.24 2wet s LEU 438 CO -0.03 -0.83 1.18 -0.76 0.23 0.00 0.00 176.35 176.14 2wet s LEU 439 N -2.55 3.43 0.00 1.79 1.43 -1.26 -4.96 118.68 116.56 2wet s LEU 439 Ca 0.58 2.27 0.05 0.00 -1.03 0.00 0.00 54.13 55.99 2wet s LEU 439 Cb -0.35 -4.58 -0.02 0.00 0.03 0.00 0.00 46.19 41.27 2wet s LEU 439 CO 0.44 -1.91 0.16 -0.90 0.23 0.00 0.00 176.35 174.37 2wet n ASP 440 N -2.33 -0.23 -0.31 2.29 5.68 -1.26 -4.88 116.55 115.51 2wet n ASP 440 Ca 0.13 -2.36 0.30 0.00 -0.50 0.00 0.00 54.79 52.36 2wet n ASP 440 Cb 0.51 0.99 0.66 0.00 -1.14 0.00 0.00 41.12 42.13 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 0.14 0.00 0.11 3.07 -1.95 -0.81 114.58 115.14 2wet h GLU 441 Ca -0.15 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 2wet h GLU 441 Cb 0.74 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 2wet h GLU 441 CO 0.22 0.09 -0.60 1.96 -1.40 0.00 0.00 179.01 179.29 2wet h GLN 442 N 0.15 0.00 -0.00 2.33 1.08 -1.98 -3.38 115.11 113.30 2wet h GLN 442 Ca 0.57 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.77 2wet h GLN 442 Cb 1.94 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.37 2wet h GLN 442 CO -0.12 0.00 -0.08 0.25 -0.95 0.00 0.00 178.83 177.93 2wet n THR 443 N -2.27 0.00 -1.73 -0.54 -2.24 -0.50 -4.99 114.28 102.01 2wet n THR 443 Ca 0.03 -0.46 -0.28 0.00 -2.27 0.00 0.00 64.05 61.07 2wet n THR 443 Cb 0.46 1.01 0.20 0.00 -2.10 0.00 0.00 70.33 69.90 2wet n THR 443 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2wet n ILE 444 N -0.91 0.00 -1.68 2.28 -5.35 -0.43 -4.85 119.36 108.42 2wet n ILE 444 Ca 0.00 -0.85 -0.44 0.00 -0.27 0.00 0.00 62.75 61.20 2wet n ILE 444 Cb 0.03 -1.49 -0.04 0.00 -1.74 0.00 0.00 39.64 36.40 2wet n ILE 444 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wet n TYR 445 N -3.88 2.50 0.97 4.28 9.36 -1.26 -4.89 117.16 124.24 2wet n TYR 445 Ca 0.15 -0.02 0.13 0.00 3.32 0.00 0.00 57.90 61.48 2wet n TYR 445 Cb 0.54 -2.68 0.43 0.00 -0.63 0.00 0.00 39.34 37.01 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 5.27 0.02 -4.11 2.98 -0.04 -1.26 -4.85 135.00 133.00 2wet n PRO 446 Ca 0.19 0.01 -0.24 0.00 -0.04 0.00 0.00 63.50 63.42 2wet n PRO 446 Cb 0.34 -1.51 -0.05 0.00 -0.04 0.00 0.00 33.50 32.23 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 -3.01 3.10 0.15 0.54 2.02 -1.26 -5.04 117.35 113.85 2wet s TYR 447 Ca 0.12 -0.08 -0.31 0.00 -0.37 0.00 0.00 57.07 56.43 2wet s TYR 447 Cb 0.18 -1.43 -0.11 0.00 -0.40 0.00 0.00 41.96 40.20 2wet s TYR 447 CO 0.62 0.52 1.77 -0.47 -1.57 0.00 0.00 175.55 176.42 2wet s TYR 448 N -1.99 2.47 0.00 2.71 5.04 -1.26 -4.83 117.35 119.48 2wet s TYR 448 Ca 0.32 0.16 0.06 0.00 -2.44 0.00 0.00 57.07 55.17 2wet s TYR 448 Cb -0.09 -4.14 0.10 0.00 0.35 0.00 0.00 41.96 38.19 2wet s TYR 448 CO 0.24 -4.54 0.99 -2.39 -1.34 0.00 0.00 175.55 168.51 2wet n HIS 449 N 5.01 0.00 0.00 4.97 1.44 -1.26 -3.44 115.22 121.94 2wet n HIS 449 Ca 0.17 -0.14 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 2wet n HIS 449 Cb 0.37 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.46 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 0.12 2.93 3.63 -1.39 0.00 -1.26 -4.60 105.19 104.61 2wet n GLY 450 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.04 2.85 0.54 1.61 0.40 -1.26 -5.12 117.98 115.95 2wet s PHE 451 Ca 0.00 -0.10 0.07 0.00 -0.60 0.00 0.00 56.93 56.31 2wet s PHE 451 Cb 0.00 -1.48 0.05 0.00 0.51 0.00 0.00 43.02 42.09 2wet s PHE 451 CO 0.00 0.45 0.55 -1.21 0.70 0.00 0.00 175.22 175.71 2wet s GLU 452 N -2.23 2.33 0.20 0.44 2.02 -1.26 -5.04 118.70 115.16 2wet s GLU 452 Ca 0.23 -1.79 -0.14 0.00 0.02 0.00 0.00 54.97 53.29 2wet s GLU 452 Cb -0.11 -2.36 0.20 0.00 0.10 0.00 0.00 34.13 31.96 2wet s GLU 452 CO 0.15 -0.64 1.65 1.15 0.02 0.00 0.00 175.26 177.59 2wet h THR 453 N 0.57 0.49 -0.57 3.63 2.02 -1.97 -2.13 112.91 114.95 2wet h THR 453 Ca -0.35 -0.01 0.08 0.00 0.77 0.00 0.00 66.41 66.90 2wet h THR 453 Cb 1.29 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 2wet h THR 453 CO 0.51 0.01 0.38 0.10 0.37 0.00 0.00 175.52 176.88 2wet h TYR 454 N 0.04 0.45 -0.34 3.16 -0.00 -1.96 0.15 116.97 118.47 2wet h TYR 454 Ca 0.27 0.01 -0.05 0.00 0.00 0.00 0.00 58.73 58.96 2wet h TYR 454 Cb 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 36.73 36.99 2wet h TYR 454 CO -0.41 0.23 0.03 0.77 -0.00 0.00 0.00 178.16 178.77 2wet h SER 455 N 0.44 0.56 -0.47 0.10 0.02 -1.78 0.32 113.55 112.74 2wet h SER 455 Ca 0.26 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 2wet h SER 455 Cb 0.44 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 2wet h SER 455 CO -0.07 0.70 0.18 -0.50 -1.14 0.00 0.00 176.83 176.00 2wet h TRP 456 N 0.39 0.72 -0.17 3.45 4.06 -1.14 -2.32 115.95 120.95 2wet h TRP 456 Ca 0.10 -0.06 -0.01 0.00 2.06 0.00 0.00 58.89 60.98 2wet h TRP 456 Cb 0.40 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.34 2wet h TRP 456 CO 0.03 0.62 0.07 0.82 -3.56 0.00 0.00 178.44 176.41 2wet h ILE 457 N 0.61 1.15 -0.81 1.49 2.04 -0.82 -2.52 117.51 118.66 2wet h ILE 457 Ca 0.15 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 2wet h ILE 457 Cb 0.21 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 2wet h ILE 457 CO -0.01 0.15 0.34 0.74 0.00 0.00 0.00 178.15 179.36 2wet h THR 458 N 0.12 1.26 -0.04 -0.27 2.02 -0.35 0.15 112.91 115.80 2wet h THR 458 Ca 0.06 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 2wet h THR 458 Cb 0.17 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2wet h THR 458 CO -0.00 0.34 -0.01 0.24 0.37 0.00 0.00 175.52 176.45 2wet h MET 459 N 1.18 0.08 -0.25 6.66 2.86 -1.40 0.98 114.93 125.03 2wet h MET 459 Ca 0.27 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.94 2wet h MET 459 Cb 0.20 -0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.78 2wet h MET 459 CO -0.02 0.45 -0.25 -0.91 1.06 0.00 0.00 176.91 177.23 2wet h ASN 460 N -0.28 -0.80 0.29 1.22 2.35 -1.18 -0.45 115.58 116.73 2wet h ASN 460 Ca 0.01 0.14 -0.12 0.00 -0.55 0.00 0.00 56.30 55.78 2wet h ASN 460 Cb 0.42 0.38 -0.01 0.00 0.05 0.00 0.00 38.32 39.15 2wet h ASN 460 CO 0.00 -0.28 -0.49 -0.07 -1.65 0.00 0.00 177.43 174.94 2wet h LEU 461 N -0.25 0.25 -0.31 1.61 3.38 -0.71 0.34 115.31 119.62 2wet h LEU 461 Ca 0.14 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2wet h LEU 461 Cb 0.47 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2wet h LEU 461 CO -0.40 0.70 0.03 1.23 0.09 0.00 0.00 178.44 180.09 2wet h GLY 462 N 1.33 0.57 1.74 0.83 0.00 -0.55 -3.30 103.07 103.70 2wet h GLY 462 Ca 0.01 -0.40 -0.21 0.00 0.00 0.00 0.00 47.33 46.73 2wet h GLY 462 CO 0.08 0.37 -1.09 1.41 0.00 0.00 0.00 176.54 177.31 2wet h LEU 463 N 0.34 0.00 0.00 3.11 3.38 -1.03 -3.47 115.31 117.64 2wet h LEU 463 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2wet h LEU 463 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2wet h LEU 463 CO 0.01 0.90 0.00 0.61 0.09 0.00 0.00 178.44 180.05 2wet n GLY 464 N 1.37 0.80 3.36 0.83 0.00 -0.60 -4.30 105.19 106.64 2wet n GLY 464 Ca -0.04 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.35 5.13 -0.03 -0.61 1.01 0.11 -5.00 121.20 120.46 2wet s ILE 465 Ca 0.00 -1.62 0.06 0.00 0.00 0.00 0.00 60.65 59.10 2wet s ILE 465 Cb 0.00 -4.49 -0.01 0.00 0.01 0.00 0.00 42.46 37.97 2wet s ILE 465 CO 0.00 -1.09 -0.21 -0.69 0.00 0.00 0.00 174.94 172.95 2wet s VAL 466 N 1.71 1.66 0.54 2.92 1.01 -1.26 -4.04 120.40 122.94 2wet s VAL 466 Ca 0.14 -0.89 -0.22 0.00 0.00 0.00 0.00 61.98 61.02 2wet s VAL 466 Cb -0.19 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 2wet s VAL 466 CO -0.01 0.47 1.35 -2.84 0.00 0.00 0.00 175.10 174.07 2wet s PRO 467 N -0.37 3.18 0.29 2.72 0.02 -1.19 -4.67 135.00 134.99 2wet s PRO 467 Ca 0.05 2.22 0.03 0.00 0.02 0.00 0.00 61.00 63.31 2wet s PRO 467 Cb -0.09 -2.27 0.60 0.00 0.02 0.00 0.00 34.50 32.76 2wet s PRO 467 CO 0.00 -1.15 1.83 1.49 -0.33 0.00 0.00 177.00 178.84 2wet h GLU 468 N 1.50 0.91 -4.43 5.54 4.81 -0.70 -3.43 114.58 118.78 2wet h GLU 468 Ca -0.51 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 58.49 2wet h GLU 468 Cb 1.30 -0.21 -0.15 0.00 0.63 0.00 0.00 28.75 30.32 2wet h GLU 468 CO 0.57 0.61 -0.68 1.03 -0.73 0.00 0.00 179.01 179.81 2wet s ARG 469 N -5.92 0.77 1.07 1.92 0.52 -1.26 -5.14 118.95 110.91 2wet s ARG 469 Ca -0.12 -1.32 -0.13 0.00 -0.52 0.00 0.00 55.73 53.65 2wet s ARG 469 Cb 0.23 0.07 0.23 0.00 0.52 0.00 0.00 34.95 35.99 2wet s ARG 469 CO 0.81 -0.12 1.07 -1.25 0.02 0.00 0.00 175.30 175.83 2wet s PRO 470 N -3.92 -0.13 0.03 3.54 0.04 -1.26 -4.86 135.00 128.44 2wet s PRO 470 Ca 0.13 0.61 -0.30 0.00 0.04 0.00 0.00 61.00 61.47 2wet s PRO 470 Cb 0.07 -1.66 -0.07 0.00 0.04 0.00 0.00 34.50 32.88 2wet s PRO 470 CO -0.05 -3.13 1.52 0.50 0.04 0.00 0.00 177.00 175.88 2wet s ARG 471 N -4.79 4.24 0.46 4.56 3.52 -1.26 -4.88 118.95 120.80 2wet s ARG 471 Ca 0.67 2.14 0.18 0.00 -0.13 0.00 0.00 55.73 58.59 2wet s ARG 471 Cb -0.21 -3.59 1.12 0.00 -1.56 0.00 0.00 34.95 30.70 2wet s ARG 471 CO 0.60 -0.66 2.00 -1.35 -0.81 0.00 0.00 175.30 175.08 2wet h PRO 472 N 8.09 0.00 -0.69 5.12 0.11 -1.98 -0.01 132.00 142.64 2wet h PRO 472 Ca -0.40 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.84 2wet h PRO 472 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 2wet h PRO 472 CO 0.92 0.18 0.46 0.00 -0.21 0.00 0.00 178.00 179.35 2wet h ALA 473 N 1.82 2.07 -0.10 -0.75 0.00 -2.01 -2.38 119.26 117.89 2wet h ALA 473 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wet h ALA 473 Cb 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2wet h ALA 473 CO 0.02 -0.24 0.07 -0.07 0.00 0.00 0.00 179.25 179.03 2wet h LEU 474 N 0.42 0.11 -0.19 0.00 3.38 -1.37 -1.10 115.31 116.56 2wet h LEU 474 Ca 0.33 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2wet h LEU 474 Cb 0.71 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2wet h LEU 474 CO -0.10 0.08 0.00 0.18 0.09 0.00 0.00 178.44 178.69 2wet n LEU 475 N -4.52 0.48 -0.55 1.67 4.77 -0.90 -2.28 117.00 115.67 2wet n LEU 475 Ca -0.01 0.57 0.11 0.00 -0.03 0.00 0.00 56.01 56.65 2wet n LEU 475 Cb 0.09 -0.45 0.40 0.00 -2.33 0.00 0.00 43.42 41.13 2wet n LEU 475 CO 0.34 -0.26 0.79 1.41 -1.33 0.00 0.00 177.39 178.35 2wet n HIS 476 N -1.98 0.17 -4.41 -1.77 8.25 -0.42 -4.96 115.22 110.10 2wet n HIS 476 Ca 0.05 -0.09 -0.25 0.00 -0.26 0.00 0.00 57.72 57.17 2wet n HIS 476 Cb 0.32 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.32 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 -1.83 1.50 -0.01 -0.41 -1.94 -0.97 -5.10 119.30 110.53 2wet s MET 477 Ca 0.33 -1.56 -0.30 0.00 -1.71 0.00 0.00 55.69 52.45 2wet s MET 477 Cb 0.18 -1.68 -0.06 0.00 2.01 0.00 0.00 34.83 35.28 2wet s MET 477 CO 0.28 0.34 1.66 0.34 -0.01 0.00 0.00 175.02 177.63 2wet s ASP 478 N -2.90 6.65 0.16 3.03 2.15 -1.26 -4.92 116.67 119.57 2wet s ASP 478 Ca 0.22 2.32 0.26 0.00 0.43 0.00 0.00 52.55 55.78 2wet s ASP 478 Cb -0.06 -2.54 0.81 0.00 -0.30 0.00 0.00 42.92 40.83 2wet s ASP 478 CO 0.10 -0.91 1.73 -0.81 -0.17 0.00 0.00 175.17 175.11 2wet n PRO 479 N 6.68 0.21 -0.13 4.34 -0.04 -1.26 -4.42 135.00 140.38 2wet n PRO 479 Ca 0.17 0.16 -0.04 0.00 -0.04 0.00 0.00 63.50 63.74 2wet n PRO 479 Cb 0.42 -1.73 0.04 0.00 -0.04 0.00 0.00 33.50 32.19 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 2.62 0.48 -0.79 0.55 0.00 -1.99 -1.13 119.26 119.00 2wet h ALA 480 Ca 0.00 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.11 2wet h ALA 480 Cb 0.69 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 2wet h ALA 480 CO 0.00 -0.30 0.52 -1.35 0.00 0.00 0.00 179.25 178.11 2wet h PRO 481 N 0.23 0.58 0.05 0.00 0.11 -2.00 0.83 132.00 131.80 2wet h PRO 481 Ca 0.21 -0.03 -0.24 0.00 0.11 0.00 0.00 66.00 66.04 2wet h PRO 481 Cb 0.25 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 2wet h PRO 481 CO -0.26 0.38 -1.19 0.00 -0.21 0.00 0.00 178.00 176.72 2wet h ALA 482 N 1.62 0.32 -0.39 -0.75 0.00 -1.65 -2.44 119.26 115.97 2wet h ALA 482 Ca 0.38 -0.98 -0.14 0.00 0.00 0.00 0.00 54.91 54.16 2wet h ALA 482 Cb 0.64 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2wet h ALA 482 CO -0.14 1.20 -0.32 -0.07 0.00 0.00 0.00 179.25 179.92 2wet h LEU 483 N 0.03 0.92 -0.72 0.00 3.38 -0.59 -1.52 115.31 116.81 2wet h LEU 483 Ca -0.09 -0.39 0.08 0.00 0.09 0.00 0.00 57.88 57.57 2wet h LEU 483 Cb 1.87 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 42.30 2wet h LEU 483 CO 0.15 1.16 0.39 0.00 0.09 0.00 0.00 178.44 180.22 2wet h ALA 484 N 0.89 0.99 -0.36 1.53 0.00 -0.86 -2.41 119.26 119.05 2wet h ALA 484 Ca 0.08 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 2wet h ALA 484 Cb 0.89 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2wet h ALA 484 CO 0.08 0.03 -0.41 1.49 0.00 0.00 0.00 179.25 180.43 2wet h GLU 485 N 0.68 0.91 -0.73 0.00 4.57 -1.10 -0.53 114.58 118.38 2wet h GLU 485 Ca 0.34 -0.50 0.03 0.00 -1.18 0.00 0.00 59.36 58.05 2wet h GLU 485 Cb 0.29 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.87 2wet h GLU 485 CO -0.23 1.15 0.48 0.74 -1.18 0.00 0.00 179.01 179.97 2wet h PHE 486 N 0.72 0.85 -0.13 0.92 0.05 -1.18 -1.74 116.94 116.44 2wet h PHE 486 Ca 0.05 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.84 2wet h PHE 486 Cb 1.01 -0.28 -0.00 0.00 2.00 0.00 0.00 35.95 38.67 2wet h PHE 486 CO 0.07 0.50 -0.01 0.93 -0.18 0.00 0.00 178.31 179.61 2wet h GLU 487 N 0.88 0.23 -0.99 1.51 4.39 -0.90 -2.35 114.58 117.35 2wet h GLU 487 Ca 0.29 -0.08 0.14 0.00 0.34 0.00 0.00 59.36 60.05 2wet h GLU 487 Cb 0.06 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 28.60 2wet h GLU 487 CO -0.08 0.50 0.61 0.00 -1.16 0.00 0.00 179.01 178.88 2wet h ARG 488 N -0.06 0.88 -0.20 2.33 3.08 -0.80 -1.05 114.38 118.57 2wet h ARG 488 Ca 0.03 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2wet h ARG 488 Cb 0.40 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2wet h ARG 488 CO 0.01 0.58 0.07 -0.07 -1.07 0.00 0.00 179.97 179.49 2wet h LEU 489 N 0.91 0.28 -0.51 3.04 3.38 -1.23 0.23 115.31 121.41 2wet h LEU 489 Ca 0.51 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.31 2wet h LEU 489 Cb 0.60 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2wet h LEU 489 CO -0.30 0.39 0.31 -0.09 0.09 0.00 0.00 178.44 178.85 2wet h ARG 490 N 0.15 0.61 -0.08 1.13 2.43 -1.12 -1.99 114.38 115.51 2wet h ARG 490 Ca 0.06 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 2wet h ARG 490 Cb 0.21 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2wet h ARG 490 CO -0.00 0.40 -0.17 -0.09 -1.51 0.00 0.00 179.97 178.60 2wet h ARG 491 N 0.63 0.27 -0.77 0.20 2.43 -1.07 -2.77 114.38 113.29 2wet h ARG 491 Ca 0.20 -0.17 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 2wet h ARG 491 Cb -0.01 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 2wet h ARG 491 CO -0.08 0.77 0.49 0.93 -1.51 0.00 0.00 179.97 180.57 2wet h GLU 492 N -0.20 0.95 -0.24 0.20 5.08 -0.50 -2.03 114.58 117.83 2wet h GLU 492 Ca 0.00 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2wet h GLU 492 Cb 0.76 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2wet h GLU 492 CO 0.04 0.63 0.15 0.78 -1.00 0.00 0.00 179.01 179.60 2wet h GLY 493 N 0.98 0.35 0.92 -3.84 0.00 -1.39 0.44 103.07 100.52 2wet h GLY 493 Ca 0.30 -0.14 0.06 0.00 0.00 0.00 0.00 47.33 47.55 2wet h GLY 493 CO -0.10 0.14 0.55 -0.55 0.00 0.00 0.00 176.54 176.58 2wet h ASP 494 N 0.30 0.82 0.71 0.19 3.32 -1.27 -1.28 116.42 119.22 2wet h ASP 494 Ca 0.09 0.01 -0.25 0.00 0.02 0.00 0.00 57.03 56.89 2wet h ASP 494 Cb 0.01 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2wet h ASP 494 CO -0.02 0.53 -1.13 -0.33 -1.72 0.00 0.00 179.24 176.57 2wet h GLU 495 N 0.93 0.20 -0.18 3.56 5.08 -1.07 -3.03 114.58 120.07 2wet h GLU 495 Ca 0.36 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2wet h GLU 495 Cb 0.22 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2wet h GLU 495 CO -0.13 1.13 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.89 2wet h LEU 496 N 0.06 0.36 -1.99 1.33 3.38 -0.52 -2.91 115.31 115.03 2wet h LEU 496 Ca -0.09 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 2wet h LEU 496 Cb 1.86 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.51 2wet h LEU 496 CO 0.18 0.65 -0.06 0.16 0.09 0.00 0.00 178.44 179.46 2wet h ILE 497 N 0.07 0.90 0.00 1.22 3.07 -1.31 0.21 117.51 121.66 2wet h ILE 497 Ca 0.05 -0.23 -0.01 0.00 1.55 0.00 0.00 64.86 66.23 2wet h ILE 497 Cb 0.50 1.13 -0.00 0.00 -0.27 0.00 0.00 36.82 38.17 2wet h ILE 497 CO 0.02 0.06 -0.02 0.00 -1.05 0.00 0.00 178.15 177.16 2wet h ALA 498 N 1.94 1.00 0.00 0.16 0.00 -1.42 -3.33 119.26 117.60 2wet h ALA 498 Ca -0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 2wet h ALA 498 Cb 0.12 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2wet h ALA 498 CO 0.01 0.03 -1.98 0.00 0.00 0.00 0.00 179.25 177.31 2wet n ALA 499 N -2.11 1.64 -1.80 0.00 0.00 -0.53 -5.04 120.51 112.68 2wet n ALA 499 Ca 0.02 -0.86 -0.34 0.00 0.00 0.00 0.00 53.44 52.26 2wet n ALA 499 Cb 0.39 0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.79 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 -5.42 4.01 0.81 0.00 1.43 -0.05 -4.92 118.68 114.54 2wet s LEU 500 Ca -0.14 1.81 -0.12 0.00 -1.03 0.00 0.00 54.13 54.66 2wet s LEU 500 Cb 0.05 -4.42 0.08 0.00 0.03 0.00 0.00 46.19 41.94 2wet s LEU 500 CO 0.51 -0.43 1.18 -2.16 0.23 0.00 0.00 176.35 175.68 2wet s PRO 501 N -2.93 1.94 0.78 1.29 0.04 -1.26 -4.90 135.00 129.96 2wet s PRO 501 Ca 0.61 0.12 -0.11 0.00 0.04 0.00 0.00 61.00 61.66 2wet s PRO 501 Cb -0.14 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.52 2wet s PRO 501 CO 0.18 -1.62 1.09 -1.54 0.04 0.00 0.00 177.00 175.15 2wet s SER 502 N -4.56 4.45 0.17 6.66 1.04 -1.26 -1.69 113.70 118.51 2wet s SER 502 Ca 0.62 1.71 -0.20 0.00 0.48 0.00 0.00 55.95 58.56 2wet s SER 502 Cb -0.11 -2.44 0.09 0.00 0.10 0.00 0.00 66.02 63.67 2wet s SER 502 CO 0.49 -2.06 1.62 0.00 0.98 0.00 0.00 173.24 174.27 2wet h TYR 504 N -0.18 0.51 -0.25 0.00 3.20 -1.84 -2.58 116.97 115.83 2wet h TYR 504 Ca 0.19 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 62.06 2wet h TYR 504 Cb 0.48 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.55 2wet h TYR 504 CO -0.49 0.54 -0.12 1.49 -1.64 0.00 0.00 178.16 177.95 2wet h GLU 505 N 0.33 -0.08 -0.25 1.82 4.81 -1.86 0.86 114.58 120.22 2wet h GLU 505 Ca 0.10 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2wet h GLU 505 Cb 0.28 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2wet h GLU 505 CO 0.00 -0.05 0.16 -0.92 -0.73 0.00 0.00 179.01 177.47 2wet h TYR 506 N -0.08 0.32 -0.32 0.92 3.20 -1.10 -2.69 116.97 117.22 2wet h TYR 506 Ca 0.13 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 2wet h TYR 506 Cb 0.28 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2wet h TYR 506 CO -0.30 0.22 0.06 -0.07 -1.64 0.00 0.00 178.16 176.44 2wet h LEU 507 N 0.32 0.43 -1.00 2.82 3.38 -1.14 -1.72 115.31 118.40 2wet h LEU 507 Ca 0.09 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2wet h LEU 507 Cb -0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2wet h LEU 507 CO -0.02 0.45 0.01 0.00 0.09 0.00 0.00 178.44 178.97 2wet h ALA 508 N 1.62 1.18 0.00 1.53 0.00 -0.63 -2.63 119.26 120.32 2wet h ALA 508 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2wet h ALA 508 Cb 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2wet h ALA 508 CO -0.00 0.54 0.00 0.66 0.00 0.00 0.00 179.25 180.45 2wet h SER 509 N 0.69 0.00 -0.05 0.00 4.64 -0.99 -2.98 113.55 114.87 2wet h SER 509 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2wet h SER 509 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2wet h SER 509 CO 0.01 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.27 2wet n ILE 510 N -2.40 0.07 0.05 0.95 -5.35 -1.01 -5.12 119.36 106.54 2wet n ILE 510 Ca 0.03 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 2wet n ILE 510 Cb 0.31 1.25 0.02 0.00 -1.74 0.00 0.00 39.64 39.48 2wet n ILE 510 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79