#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pwv s PRO 12 N 0.00 1.05 0.22 5.56 0.04 -1.26 -4.56 135.00 136.05 2pwv s PRO 12 Ca 0.00 1.00 -0.07 0.00 0.04 0.00 0.00 61.00 61.97 2pwv s PRO 12 Cb 0.00 -1.77 0.33 0.00 0.04 0.00 0.00 34.50 33.10 2pwv s PRO 12 CO 0.00 -2.43 1.78 -0.09 0.04 0.00 0.00 177.00 176.30 2pwv h ARG 13 N -1.70 0.57 -1.55 4.56 2.43 -1.86 -2.53 114.38 114.31 2pwv h ARG 13 Ca -0.49 -0.03 0.11 0.00 -0.81 0.00 0.00 59.98 58.76 2pwv h ARG 13 Cb 1.28 -0.13 -0.23 0.00 -0.42 0.00 0.00 29.97 30.47 2pwv h ARG 13 CO 0.51 0.38 0.11 0.12 -1.51 0.00 0.00 179.97 179.59 2pwv s PHE 14 N -6.06 -0.92 -0.21 2.20 5.36 -1.24 -4.16 117.98 112.94 2pwv s PHE 14 Ca -0.13 1.66 -0.04 0.00 -0.96 0.00 0.00 56.93 57.47 2pwv s PHE 14 Cb 0.18 0.55 0.10 0.00 -0.34 0.00 0.00 43.02 43.51 2pwv s PHE 14 CO 0.76 -0.46 0.27 0.45 -1.46 0.00 0.00 175.22 174.78 2pwv s SER 15 N 2.28 0.96 -0.22 6.13 0.15 -0.09 -4.98 113.70 117.93 2pwv s SER 15 Ca -0.06 -0.02 -0.09 0.00 0.70 0.00 0.00 55.95 56.49 2pwv s SER 15 Cb -0.07 0.62 -0.04 0.00 -1.71 0.00 0.00 66.02 64.81 2pwv s SER 15 CO -0.18 -0.31 0.11 0.12 1.20 0.00 0.00 173.24 174.18 2pwv s PHE 16 N 2.40 3.26 -0.06 3.44 5.36 -1.26 -0.96 117.98 130.16 2pwv s PHE 16 Ca 0.08 0.08 0.02 0.00 -0.96 0.00 0.00 56.93 56.15 2pwv s PHE 16 Cb -0.15 -2.19 0.02 0.00 -0.34 0.00 0.00 43.02 40.35 2pwv s PHE 16 CO -0.13 0.04 -0.08 0.45 -1.46 0.00 0.00 175.22 174.04 2pwv s SER 17 N 0.87 1.42 -0.25 6.13 0.15 -0.38 -4.99 113.70 116.65 2pwv s SER 17 Ca 0.06 -0.22 -0.14 0.00 0.70 0.00 0.00 55.95 56.35 2pwv s SER 17 Cb -0.13 -0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 63.48 2pwv s SER 17 CO 0.03 -0.01 0.33 -0.63 1.20 0.00 0.00 173.24 174.16 2pwv s ILE 18 N 0.83 5.22 -0.11 6.45 1.01 -1.26 -1.64 121.20 131.70 2pwv s ILE 18 Ca -0.12 0.50 0.16 0.00 0.00 0.00 0.00 60.65 61.19 2pwv s ILE 18 Cb -0.15 -3.66 -0.19 0.00 0.01 0.00 0.00 42.46 38.47 2pwv s ILE 18 CO 0.02 0.21 0.67 0.00 0.00 0.00 0.00 174.94 175.83 2pwv n ALA 19 N 5.03 1.81 -3.47 9.38 0.00 0.28 -4.95 120.51 128.59 2pwv n ALA 19 Ca -0.10 -0.70 -0.15 0.00 0.00 0.00 0.00 53.44 52.50 2pwv n ALA 19 Cb 0.51 -0.82 -0.04 0.00 0.00 0.00 0.00 19.45 19.10 2pwv n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pwv s ALA 20 N -2.81 -1.69 0.05 0.00 0.00 -0.80 -5.02 121.76 111.49 2pwv s ALA 20 Ca -0.05 0.90 0.01 0.00 0.00 0.00 0.00 51.96 52.82 2pwv s ALA 20 Cb 0.08 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.62 2pwv s ALA 20 CO 0.82 -0.58 -0.06 1.03 0.00 0.00 0.00 175.76 176.98 2pwv s ARG 21 N -2.51 0.54 -0.26 0.00 0.52 -1.26 -1.08 118.95 114.90 2pwv s ARG 21 Ca -0.05 -0.89 -0.03 0.00 -0.52 0.00 0.00 55.73 54.24 2pwv s ARG 21 Cb -0.01 -0.11 0.15 0.00 0.52 0.00 0.00 34.95 35.51 2pwv s ARG 21 CO -0.02 -0.01 0.47 -2.00 0.02 0.00 0.00 175.30 173.76 2pwv s GLU 22 N -2.29 0.43 7.24 3.54 2.12 -0.75 -4.86 118.70 124.12 2pwv s GLU 22 Ca -0.05 0.77 0.00 0.00 0.36 0.00 0.00 54.97 56.05 2pwv s GLU 22 Cb -0.05 -0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.33 2pwv s GLU 22 CO -0.02 -0.59 0.00 0.41 -0.54 0.00 0.00 175.26 174.52 2pwv n GLY 23 N 5.39 3.43 0.02 -1.50 0.00 -1.26 -0.85 105.19 110.42 2pwv n GLY 23 Ca -0.03 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 45.97 2pwv n GLY 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pwv n LYS 24 N 14.00 0.28 -2.88 1.61 5.02 -1.26 -4.90 118.16 130.03 2pwv n LYS 24 Ca 0.00 -0.04 -0.34 0.00 -2.02 0.00 0.00 58.31 55.91 2pwv n LYS 24 Cb 0.00 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.44 2pwv n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pwv s ALA 25 N -2.74 3.14 0.02 7.82 0.00 -0.03 -3.63 121.76 126.34 2pwv s ALA 25 Ca 0.22 0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.54 2pwv s ALA 25 Cb 0.20 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 2pwv s ALA 25 CO 0.51 0.19 -0.04 1.03 0.00 0.00 0.00 175.76 177.45 2pwv s ARG 26 N -2.85 0.30 -0.00 0.00 3.00 -1.26 -1.82 118.95 116.32 2pwv s ARG 26 Ca 0.57 -0.42 0.02 0.00 0.00 0.00 0.00 55.73 55.90 2pwv s ARG 26 Cb -0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 34.95 34.73 2pwv s ARG 26 CO 0.16 0.01 -0.08 -0.08 0.00 0.00 0.00 175.30 175.32 2pwv s THR 27 N -0.85 0.59 0.00 0.02 -1.32 -0.24 -3.98 115.64 109.86 2pwv s THR 27 Ca -0.08 -0.34 0.00 0.00 -1.21 0.00 0.00 61.69 60.06 2pwv s THR 27 Cb -0.06 -0.50 0.00 0.00 -1.51 0.00 0.00 72.50 70.43 2pwv s THR 27 CO -0.00 0.15 0.00 0.61 -2.21 0.00 0.00 174.62 173.17 2pwv n GLY 28 N 2.85 1.20 3.04 6.08 0.00 -0.82 -0.55 105.19 117.00 2pwv n GLY 28 Ca -0.13 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 2pwv n GLY 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pwv s THR 29 N -1.24 0.12 -0.26 2.61 -4.23 -0.65 0.37 115.64 112.35 2pwv s THR 29 Ca 0.00 -0.97 -0.04 0.00 -1.18 0.00 0.00 61.69 59.50 2pwv s THR 29 Cb 0.00 -0.51 0.02 0.00 1.34 0.00 0.00 72.50 73.35 2pwv s THR 29 CO 0.00 -0.53 -0.01 -0.63 -0.54 0.00 0.00 174.62 172.91 2pwv s ILE 30 N -1.84 3.30 -0.14 2.99 1.01 0.52 -1.25 121.20 125.79 2pwv s ILE 30 Ca -0.12 -0.87 -0.14 0.00 0.00 0.00 0.00 60.65 59.51 2pwv s ILE 30 Cb -0.06 -2.68 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 2pwv s ILE 30 CO -0.02 0.17 0.33 -1.61 0.00 0.00 0.00 174.94 173.81 2pwv s GLU 31 N 1.40 4.23 0.11 2.79 2.02 -0.13 -0.82 118.70 128.29 2pwv s GLU 31 Ca 0.01 0.17 -0.01 0.00 0.02 0.00 0.00 54.97 55.16 2pwv s GLU 31 Cb -0.17 -3.41 -0.04 0.00 0.10 0.00 0.00 34.13 30.61 2pwv s GLU 31 CO -0.02 0.27 0.03 -1.64 0.02 0.00 0.00 175.26 173.92 2pwv s MET 32 N 0.36 0.85 0.38 1.61 -1.94 -0.86 -0.92 119.30 118.78 2pwv s MET 32 Ca 0.18 -1.38 0.06 0.00 -1.71 0.00 0.00 55.69 52.85 2pwv s MET 32 Cb -0.13 0.20 0.79 0.00 2.01 0.00 0.00 34.83 37.69 2pwv s MET 32 CO 0.05 -0.21 2.01 0.87 -0.01 0.00 0.00 175.02 177.73 2pwv h LYS 33 N 2.94 0.65 -0.01 2.03 1.79 -1.61 -0.97 116.57 121.39 2pwv h LYS 33 Ca -0.35 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 2pwv h LYS 33 Cb 1.18 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 2pwv h LYS 33 CO 0.61 0.43 -0.05 0.54 -1.08 0.00 0.00 179.45 179.91 2pwv n ARG 34 N -4.47 1.21 0.00 3.15 1.74 -1.26 -4.85 116.66 112.19 2pwv n ARG 34 Ca 0.07 -0.53 0.00 0.00 -0.77 0.00 0.00 57.85 56.62 2pwv n ARG 34 Cb 0.15 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 2pwv n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pwv n GLY 35 N 1.17 1.00 3.81 -0.13 0.00 -0.37 -4.14 105.19 106.54 2pwv n GLY 35 Ca 0.18 -1.86 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 2pwv n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pwv s VAL 36 N -1.19 5.30 -0.29 1.61 1.01 -1.26 -2.03 120.40 123.55 2pwv s VAL 36 Ca 0.00 0.50 -0.04 0.00 0.00 0.00 0.00 61.98 62.44 2pwv s VAL 36 Cb 0.00 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.84 2pwv s VAL 36 CO 0.00 0.52 0.02 -0.63 0.00 0.00 0.00 175.10 175.01 2pwv s ILE 37 N -0.47 3.36 0.17 2.22 1.01 0.00 -4.86 121.20 122.63 2pwv s ILE 37 Ca 0.18 -1.03 -0.30 0.00 0.00 0.00 0.00 60.65 59.50 2pwv s ILE 37 Cb -0.14 -2.80 -0.07 0.00 0.01 0.00 0.00 42.46 39.46 2pwv s ILE 37 CO 0.06 0.03 1.02 -0.13 0.00 0.00 0.00 174.94 175.93 2pwv s ARG 38 N 1.37 4.68 0.13 2.79 0.52 -1.26 -0.35 118.95 126.83 2pwv s ARG 38 Ca -0.01 1.58 0.10 0.00 -0.52 0.00 0.00 55.73 56.89 2pwv s ARG 38 Cb -0.18 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 31.94 2pwv s ARG 38 CO -0.01 0.22 -0.25 0.95 0.02 0.00 0.00 175.30 176.23 2pwv s THR 39 N -0.38 2.11 0.33 0.02 -4.23 0.16 -3.21 115.64 110.44 2pwv s THR 39 Ca 0.47 -1.73 -0.29 0.00 -1.18 0.00 0.00 61.69 58.96 2pwv s THR 39 Cb -0.27 -1.88 -0.11 0.00 1.34 0.00 0.00 72.50 71.58 2pwv s THR 39 CO 0.33 0.02 1.56 -2.65 -0.54 0.00 0.00 174.62 173.34 2pwv n PRO 40 N 0.89 2.72 -4.90 3.99 -0.02 -1.26 -1.93 135.00 134.49 2pwv n PRO 40 Ca -0.18 0.96 -0.32 0.00 -2.02 0.00 0.00 63.50 61.94 2pwv n PRO 40 Cb 0.53 -2.73 -0.13 0.00 -0.02 0.00 0.00 33.50 31.15 2pwv n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pwv s ALA 41 N -0.49 2.56 -0.20 3.55 0.00 -0.37 -4.85 121.76 121.96 2pwv s ALA 41 Ca 0.59 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.45 2pwv s ALA 41 Cb -0.48 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 2pwv s ALA 41 CO 0.55 0.56 -0.03 0.12 0.00 0.00 0.00 175.76 176.96 2pwv s PHE 42 N -0.77 2.98 -0.36 0.00 5.36 -1.26 -1.37 117.98 122.57 2pwv s PHE 42 Ca 0.12 -0.66 -0.10 0.00 -0.96 0.00 0.00 56.93 55.33 2pwv s PHE 42 Cb -0.10 -2.06 0.02 0.00 -0.34 0.00 0.00 43.02 40.53 2pwv s PHE 42 CO 0.02 -0.35 0.18 -1.64 -1.46 0.00 0.00 175.22 171.97 2pwv s MET 43 N 1.10 2.93 0.48 10.12 -1.94 0.36 -4.76 119.30 127.58 2pwv s MET 43 Ca 0.02 -1.00 -0.24 0.00 -1.71 0.00 0.00 55.69 52.75 2pwv s MET 43 Cb -0.15 -3.67 -0.07 0.00 2.01 0.00 0.00 34.83 32.96 2pwv s MET 43 CO 0.00 -0.63 1.37 -2.30 -0.01 0.00 0.00 175.02 173.46 2pwv n PRO 44 N 4.98 1.98 -3.63 2.03 -0.02 -1.25 -4.13 135.00 134.95 2pwv n PRO 44 Ca -0.12 0.71 -0.36 0.00 -2.02 0.00 0.00 63.50 61.71 2pwv n PRO 44 Cb 0.47 -2.56 -0.07 0.00 -0.02 0.00 0.00 33.50 31.31 2pwv n PRO 44 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2pwv s VAL 45 N -1.23 5.35 -0.30 -1.45 1.01 -1.26 -0.94 120.40 121.57 2pwv s VAL 45 Ca 0.65 0.41 0.02 0.00 0.00 0.00 0.00 61.98 63.05 2pwv s VAL 45 Cb -0.45 -3.56 0.09 0.00 0.00 0.00 0.00 36.38 32.46 2pwv s VAL 45 CO 0.54 0.43 0.03 -0.83 0.00 0.00 0.00 175.10 175.27 2pwv s GLY 46 N 0.30 1.51 -0.12 4.51 0.00 -0.55 -4.49 107.32 108.48 2pwv s GLY 46 Ca 0.13 -1.96 -0.09 0.00 0.00 0.00 0.00 44.72 42.80 2pwv s GLY 46 CO 0.02 1.13 0.39 -0.91 0.00 0.00 0.00 173.10 173.73 2pwv h THR 47 N 6.59 0.70 -2.28 0.90 1.35 -1.78 -3.35 112.91 115.04 2pwv h THR 47 Ca -0.11 -2.35 -0.67 0.00 -0.55 0.00 0.00 66.41 62.74 2pwv h THR 47 Cb 1.03 2.52 -0.37 0.00 -1.73 0.00 0.00 68.15 69.60 2pwv h THR 47 CO 0.48 0.83 -0.03 0.00 -0.25 0.00 0.00 175.52 176.55 2pwv n ALA 48 N -3.02 5.16 -2.35 6.62 0.00 -1.26 -4.37 120.51 121.29 2pwv n ALA 48 Ca -0.31 -4.68 -0.20 0.00 0.00 0.00 0.00 53.44 48.26 2pwv n ALA 48 Cb 1.01 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 19.18 2pwv n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pwv n ALA 49 N -0.13 -0.57 -3.54 0.00 0.00 -1.26 -4.99 120.51 110.02 2pwv n ALA 49 Ca 0.36 0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.85 2pwv n ALA 49 Cb 0.34 -2.09 -0.09 0.00 0.00 0.00 0.00 19.45 17.62 2pwv n ALA 49 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2pwv s THR 50 N -2.97 -0.01 -0.45 0.00 -1.32 -1.26 -4.71 115.64 104.92 2pwv s THR 50 Ca 0.00 0.03 -0.29 0.00 -1.21 0.00 0.00 61.69 60.22 2pwv s THR 50 Cb 0.00 -0.75 0.02 0.00 -1.51 0.00 0.00 72.50 70.26 2pwv s THR 50 CO 0.00 0.01 1.30 -0.69 -2.21 0.00 0.00 174.62 173.03 2pwv s VAL 51 N 0.81 4.01 0.11 5.08 1.01 -1.26 -2.71 120.40 127.46 2pwv s VAL 51 Ca -0.04 1.02 -0.35 0.00 0.00 0.00 0.00 61.98 62.61 2pwv s VAL 51 Cb -0.05 -4.38 -0.15 0.00 0.00 0.00 0.00 36.38 31.80 2pwv s VAL 51 CO -0.06 -0.89 1.52 0.29 0.00 0.00 0.00 175.10 175.96 2pwv n LYS 52 N 8.03 1.82 -1.16 2.72 5.02 -1.26 -1.05 118.16 132.28 2pwv n LYS 52 Ca 0.14 0.66 -0.06 0.00 -2.02 0.00 0.00 58.31 57.03 2pwv n LYS 52 Cb 0.48 -2.39 -0.02 0.00 -0.02 0.00 0.00 35.03 33.08 2pwv n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pwv n ALA 53 N 3.35 -0.09 -2.98 7.82 0.00 -1.26 -4.96 120.51 122.39 2pwv n ALA 53 Ca 0.18 0.09 -0.23 0.00 0.00 0.00 0.00 53.44 53.48 2pwv n ALA 53 Cb 0.25 -1.17 -0.16 0.00 0.00 0.00 0.00 19.45 18.38 2pwv n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pwv s LEU 54 N -1.28 1.84 0.41 0.00 1.43 -0.21 -4.54 118.68 116.32 2pwv s LEU 54 Ca 0.00 -0.26 -0.26 0.00 -1.03 0.00 0.00 54.13 52.58 2pwv s LEU 54 Cb 0.00 -0.73 -0.09 0.00 0.03 0.00 0.00 46.19 45.40 2pwv s LEU 54 CO 0.00 0.10 1.33 -0.54 0.23 0.00 0.00 176.35 177.47 2pwv s LYS 55 N 0.14 3.96 0.33 1.70 1.02 -1.26 -4.49 119.74 121.14 2pwv s LYS 55 Ca -0.03 2.21 0.12 0.00 0.02 0.00 0.00 55.97 58.29 2pwv s LYS 55 Cb -0.10 -2.77 1.02 0.00 -0.52 0.00 0.00 37.83 35.46 2pwv s LYS 55 CO 0.01 -0.52 1.68 -1.35 -0.92 0.00 0.00 175.35 174.25 2pwv h PRO 56 N 2.68 0.37 -0.36 -1.68 0.11 -1.86 -0.23 132.00 131.03 2pwv h PRO 56 Ca -0.50 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 2pwv h PRO 56 Cb 1.25 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2pwv h PRO 56 CO 0.63 0.24 -0.13 1.05 -0.21 0.00 0.00 178.00 179.58 2pwv h GLU 57 N 0.38 0.64 -0.21 1.05 4.11 -1.92 -1.43 114.58 117.21 2pwv h GLU 57 Ca 0.70 -0.20 -0.03 0.00 0.07 0.00 0.00 59.36 59.89 2pwv h GLU 57 Cb 1.53 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.71 2pwv h GLU 57 CO -0.58 0.75 -0.00 1.15 0.07 0.00 0.00 179.01 180.40 2pwv h THR 58 N 0.59 1.26 -0.50 -1.06 2.02 -1.45 0.09 112.91 113.85 2pwv h THR 58 Ca 0.10 -0.89 0.10 0.00 0.77 0.00 0.00 66.41 66.49 2pwv h THR 58 Cb 0.56 1.43 -0.09 0.00 -1.74 0.00 0.00 68.15 68.31 2pwv h THR 58 CO 0.03 0.27 -0.06 0.58 0.37 0.00 0.00 175.52 176.72 2pwv h VAL 59 N 0.13 0.55 -0.73 3.16 2.07 -0.89 -1.60 116.25 118.93 2pwv h VAL 59 Ca 0.06 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 2pwv h VAL 59 Cb 0.41 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2pwv h VAL 59 CO 0.01 0.01 0.22 -0.09 0.02 0.00 0.00 177.57 177.74 2pwv h ARG 60 N 0.05 1.14 -0.04 1.57 9.65 -1.09 -2.83 114.38 122.82 2pwv h ARG 60 Ca 0.25 -0.25 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 2pwv h ARG 60 Cb 0.38 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 2pwv h ARG 60 CO -0.47 0.97 -0.22 0.00 2.80 0.00 0.00 179.97 183.05 2pwv h ALA 61 N 1.14 1.56 0.00 2.80 0.00 -0.07 -1.01 119.26 123.69 2pwv h ALA 61 Ca 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2pwv h ALA 61 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2pwv h ALA 61 CO -0.01 0.32 0.00 1.79 0.00 0.00 0.00 179.25 181.36 2pwv h THR 62 N 0.07 0.00 0.00 0.00 1.35 -1.08 -3.46 112.91 109.79 2pwv h THR 62 Ca 0.01 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 2pwv h THR 62 Cb 0.43 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 2pwv h THR 62 CO 0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 2pwv n GLY 63 N -0.47 1.05 3.74 5.82 0.00 -0.38 -4.71 105.19 110.23 2pwv n GLY 63 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2pwv n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pwv s ALA 64 N -2.00 3.62 -0.11 4.61 0.00 -1.22 -4.90 121.76 121.75 2pwv s ALA 64 Ca 0.00 1.26 0.20 0.00 0.00 0.00 0.00 51.96 53.42 2pwv s ALA 64 Cb 0.00 -3.54 -0.26 0.00 0.00 0.00 0.00 23.12 19.32 2pwv s ALA 64 CO 0.00 -0.68 0.45 -0.25 0.00 0.00 0.00 175.76 175.28 2pwv n ASP 65 N 2.78 0.20 -3.58 0.00 8.00 -1.26 -4.56 116.55 118.12 2pwv n ASP 65 Ca 0.08 0.08 -0.16 0.00 0.71 0.00 0.00 54.79 55.50 2pwv n ASP 65 Cb 0.41 1.29 -0.07 0.00 -0.02 0.00 0.00 41.12 42.73 2pwv n ASP 65 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2pwv s ILE 66 N -3.10 0.00 0.27 0.53 2.07 -1.26 -4.05 121.20 115.66 2pwv s ILE 66 Ca -0.07 -0.04 0.08 0.00 -1.41 0.00 0.00 60.65 59.21 2pwv s ILE 66 Cb 0.10 -0.95 -0.06 0.00 0.13 0.00 0.00 42.46 41.69 2pwv s ILE 66 CO 0.86 -0.02 -0.10 0.27 -1.91 0.00 0.00 174.94 174.04 2pwv s ILE 67 N -0.69 1.82 -0.12 2.00 -4.36 -1.19 -3.96 121.20 114.70 2pwv s ILE 67 Ca -0.08 -2.18 -0.03 0.00 -0.26 0.00 0.00 60.65 58.10 2pwv s ILE 67 Cb -0.02 -2.36 -0.03 0.00 1.25 0.00 0.00 42.46 41.30 2pwv s ILE 67 CO 0.07 -0.37 -0.01 -0.22 0.24 0.00 0.00 174.94 174.65 2pwv s LEU 68 N -3.44 3.48 0.30 0.37 0.20 -0.11 -1.91 118.68 117.57 2pwv s LEU 68 Ca 0.28 0.04 0.10 0.00 0.69 0.00 0.00 54.13 55.24 2pwv s LEU 68 Cb 0.02 -1.82 -0.05 0.00 -0.43 0.00 0.00 46.19 43.91 2pwv s LEU 68 CO 0.12 0.29 -0.01 -0.83 -0.29 0.00 0.00 176.35 175.62 2pwv s GLY 69 N -0.35 1.88 -0.18 7.98 0.00 0.16 -1.48 107.32 115.33 2pwv s GLY 69 Ca 0.07 -1.82 -0.01 0.00 0.00 0.00 0.00 44.72 42.95 2pwv s GLY 69 CO 0.02 -1.83 -0.11 -1.31 0.00 0.00 0.00 173.10 169.87 2pwv s ASN 70 N -3.68 3.94 0.07 1.64 0.02 -1.26 -1.64 114.94 114.03 2pwv s ASN 70 Ca 0.33 -0.43 -0.29 0.00 -1.02 0.00 0.00 52.86 51.45 2pwv s ASN 70 Cb -0.03 -1.63 -0.18 0.00 0.02 0.00 0.00 41.25 39.43 2pwv s ASN 70 CO 0.19 0.05 1.64 0.74 0.02 0.00 0.00 177.10 179.75 2pwv h THR 71 N 5.65 0.56 -0.38 1.60 2.02 -1.84 -2.80 112.91 117.72 2pwv h THR 71 Ca -0.36 -0.03 0.08 0.00 0.77 0.00 0.00 66.41 66.87 2pwv h THR 71 Cb 1.18 0.58 -0.08 0.00 -1.74 0.00 0.00 68.15 68.08 2pwv h THR 71 CO 0.59 0.01 -0.16 0.22 0.37 0.00 0.00 175.52 176.55 2pwv h TYR 72 N -0.62 -0.39 0.12 3.16 3.20 -1.84 -2.12 116.97 118.48 2pwv h TYR 72 Ca -0.06 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2pwv h TYR 72 Cb 0.47 0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.97 2pwv h TYR 72 CO -0.04 -0.24 -0.06 0.45 -1.64 0.00 0.00 178.16 176.64 2pwv h HIS 73 N -0.09 -0.14 -0.10 -3.82 3.86 -1.86 -3.07 115.15 109.93 2pwv h HIS 73 Ca 0.19 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.32 2pwv h HIS 73 Cb 0.37 0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 2pwv h HIS 73 CO -0.39 0.20 -0.26 -0.07 0.86 0.00 0.00 177.93 178.27 2pwv h LEU 74 N -0.50 0.18 -1.20 2.43 3.38 -1.45 0.12 115.31 118.26 2pwv h LEU 74 Ca -0.02 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2pwv h LEU 74 Cb 0.41 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2pwv h LEU 74 CO 0.03 0.44 0.11 0.00 0.09 0.00 0.00 178.44 179.10 2pwv h MET 75 N 0.16 0.66 0.04 1.13 -0.00 -1.42 0.57 114.93 116.07 2pwv h MET 75 Ca 0.03 -0.12 -0.00 0.00 -0.00 0.00 0.00 59.70 59.61 2pwv h MET 75 Cb 0.55 -0.11 0.00 0.00 -0.00 0.00 0.00 31.60 32.04 2pwv h MET 75 CO 0.04 0.60 -0.02 -0.07 -0.00 0.00 0.00 176.91 177.46 2pwv h LEU 76 N 0.64 -0.04 -7.24 -0.10 3.38 -1.30 -3.34 115.31 107.31 2pwv h LEU 76 Ca 0.15 -0.64 -0.28 0.00 0.09 0.00 0.00 57.88 57.19 2pwv h LEU 76 Cb 0.24 0.01 -0.35 0.00 0.09 0.00 0.00 40.66 40.65 2pwv h LEU 76 CO -0.00 0.70 -0.62 -0.60 0.09 0.00 0.00 178.44 178.01 2pwv s ARG 77 N -2.81 0.05 0.00 1.13 3.52 0.37 -4.22 118.95 116.99 2pwv s ARG 77 Ca -0.15 0.58 0.23 0.00 -0.13 0.00 0.00 55.73 56.26 2pwv s ARG 77 Cb -0.01 -0.27 0.83 0.00 -1.56 0.00 0.00 34.95 33.94 2pwv s ARG 77 CO 0.56 -0.31 1.60 -0.35 -0.81 0.00 0.00 175.30 175.99 2pwv n PRO 78 N 5.33 1.74 0.00 5.12 -0.04 -1.14 -3.88 135.00 142.13 2pwv n PRO 78 Ca -0.05 -1.10 0.00 0.00 -0.04 0.00 0.00 63.50 62.31 2pwv n PRO 78 Cb 0.50 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2pwv n PRO 78 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pwv n GLY 79 N 1.16 2.50 0.13 0.55 0.00 0.20 -4.70 105.19 105.03 2pwv n GLY 79 Ca 0.17 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.58 2pwv n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pwv h ALA 80 N 0.00 0.17 -0.85 4.61 0.00 -1.74 -1.59 119.26 119.86 2pwv h ALA 80 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.58 2pwv h ALA 80 Cb 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2pwv h ALA 80 CO 0.00 0.11 0.54 0.93 0.00 0.00 0.00 179.25 180.84 2pwv h GLU 81 N -0.11 1.03 -0.28 0.00 3.07 -1.93 -0.50 114.58 115.86 2pwv h GLU 81 Ca 0.01 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 2pwv h GLU 81 Cb 0.78 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 2pwv h GLU 81 CO 0.05 0.68 0.14 -0.09 -1.40 0.00 0.00 179.01 178.39 2pwv h ARG 82 N 1.06 0.39 -0.81 2.33 2.43 -1.78 -1.42 114.38 116.58 2pwv h ARG 82 Ca 0.34 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 2pwv h ARG 82 Cb 0.01 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 2pwv h ARG 82 CO -0.12 0.36 0.42 0.82 -1.51 0.00 0.00 179.97 179.94 2pwv h ILE 83 N 0.32 1.25 -0.78 1.20 2.04 -0.98 -0.71 117.51 119.84 2pwv h ILE 83 Ca 0.10 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 2pwv h ILE 83 Cb 0.09 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.31 2pwv h ILE 83 CO -0.01 0.28 0.42 0.00 0.00 0.00 0.00 178.15 178.84 2pwv h ALA 84 N 1.31 1.00 -0.95 1.87 0.00 -0.75 0.21 119.26 121.96 2pwv h ALA 84 Ca 0.28 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2pwv h ALA 84 Cb 0.07 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 2pwv h ALA 84 CO -0.04 0.52 0.62 -0.22 0.00 0.00 0.00 179.25 180.13 2pwv h LYS 85 N 1.08 1.19 -0.05 0.00 3.64 -0.71 -1.30 116.57 120.42 2pwv h LYS 85 Ca 0.27 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2pwv h LYS 85 Cb 0.05 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 2pwv h LYS 85 CO -0.04 0.79 0.00 1.28 -2.27 0.00 0.00 179.45 179.20 2pwv n LEU 86 N -4.42 0.62 0.00 5.20 4.77 -0.32 -4.87 117.00 117.97 2pwv n LEU 86 Ca 0.12 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2pwv n LEU 86 Cb 0.07 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2pwv n LEU 86 CO 0.35 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2pwv n GLY 87 N 0.94 1.17 0.00 -0.72 0.00 -0.49 -4.66 105.19 101.43 2pwv n GLY 87 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2pwv n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pwv n GLY 88 N -0.21 1.61 0.31 -0.02 0.00 0.67 -4.47 105.19 103.08 2pwv n GLY 88 Ca 0.00 -1.93 -0.03 0.00 0.00 0.00 0.00 46.02 44.06 2pwv n GLY 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2pwv h LEU 89 N 0.00 0.81 0.01 0.99 5.85 -1.10 -1.16 115.31 120.72 2pwv h LEU 89 Ca 0.00 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 2pwv h LEU 89 Cb 0.00 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.82 2pwv h LEU 89 CO 0.00 0.77 -0.01 0.45 -0.34 0.00 0.00 178.44 179.31 2pwv h HIS 90 N 0.85 -0.02 -0.06 1.25 3.86 -1.76 -1.50 115.15 117.77 2pwv h HIS 90 Ca 0.19 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 2pwv h HIS 90 Cb 0.25 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.72 2pwv h HIS 90 CO 0.02 0.10 -0.01 1.03 0.86 0.00 0.00 177.93 179.92 2pwv h SER 91 N -0.13 0.12 -0.28 2.45 0.87 -1.74 -0.84 113.55 114.00 2pwv h SER 91 Ca -0.00 -0.37 0.06 0.00 -1.23 0.00 0.00 61.79 60.25 2pwv h SER 91 Cb 0.12 -0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 61.97 2pwv h SER 91 CO 0.00 0.46 -0.40 0.15 -0.53 0.00 0.00 176.83 176.50 2pwv h PHE 92 N -0.23 -1.16 -0.00 2.24 3.57 -1.09 -2.94 116.94 117.33 2pwv h PHE 92 Ca 0.02 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2pwv h PHE 92 Cb 0.40 0.55 0.00 0.00 2.79 0.00 0.00 35.95 39.69 2pwv h PHE 92 CO 0.05 -0.44 -0.43 0.00 -2.23 0.00 0.00 178.31 175.26 2pwv n MET 93 N -5.42 0.23 -1.05 1.11 0.00 -0.58 -4.98 117.12 106.44 2pwv n MET 93 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 57.70 57.55 2pwv n MET 93 Cb 0.35 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.07 2pwv n MET 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2pwv n GLY 94 N 1.45 0.47 3.18 3.17 0.00 -0.37 -4.76 105.19 108.33 2pwv n GLY 94 Ca 0.07 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 2pwv n GLY 94 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2pwv s TRP 95 N -2.00 3.23 -2.39 1.61 -0.11 -0.91 -4.75 118.94 113.61 2pwv s TRP 95 Ca 0.00 -1.82 0.22 0.00 1.22 0.00 0.00 56.10 55.72 2pwv s TRP 95 Cb 0.00 -2.09 0.57 0.00 -1.50 0.00 0.00 33.47 30.44 2pwv s TRP 95 CO 0.00 -0.79 1.46 -0.40 -4.62 0.00 0.00 176.95 172.60 2pwv n ASP 96 N 4.63 2.58 -4.90 5.86 5.68 -1.26 -4.38 116.55 124.76 2pwv n ASP 96 Ca -0.14 -1.86 -0.21 0.00 -0.50 0.00 0.00 54.79 52.08 2pwv n ASP 96 Cb 0.44 -0.17 0.08 0.00 -1.14 0.00 0.00 41.12 40.32 2pwv n ASP 96 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2pwv s ARG 97 N -1.65 2.09 0.63 0.11 0.52 -1.26 -4.89 118.95 114.50 2pwv s ARG 97 Ca 0.35 -1.43 -0.18 0.00 -0.52 0.00 0.00 55.73 53.95 2pwv s ARG 97 Cb 0.20 -2.53 -0.03 0.00 0.52 0.00 0.00 34.95 33.11 2pwv s ARG 97 CO 0.29 -1.06 1.10 -2.30 0.02 0.00 0.00 175.30 173.34 2pwv n PRO 98 N -2.45 0.95 -4.23 3.54 -0.02 -1.26 -4.96 135.00 126.58 2pwv n PRO 98 Ca 0.15 0.37 -0.21 0.00 -2.02 0.00 0.00 63.50 61.80 2pwv n PRO 98 Cb 0.61 -2.32 -0.16 0.00 -0.02 0.00 0.00 33.50 31.61 2pwv n PRO 98 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2pwv s ILE 99 N -1.48 0.63 -0.21 4.25 1.01 -1.26 -3.19 121.20 120.95 2pwv s ILE 99 Ca 0.79 -0.18 -0.14 0.00 0.00 0.00 0.00 60.65 61.12 2pwv s ILE 99 Cb -0.40 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 2pwv s ILE 99 CO 0.44 0.25 0.31 -0.22 0.00 0.00 0.00 174.94 175.71 2pwv s LEU 100 N 0.88 4.16 -0.14 2.97 0.20 -0.80 -0.45 118.68 125.49 2pwv s LEU 100 Ca -0.12 0.39 -0.04 0.00 0.69 0.00 0.00 54.13 55.06 2pwv s LEU 100 Cb -0.15 -2.37 -0.03 0.00 -0.43 0.00 0.00 46.19 43.21 2pwv s LEU 100 CO 0.01 -0.01 -0.02 0.42 -0.29 0.00 0.00 176.35 176.46 2pwv s THR 101 N 1.10 4.11 0.76 3.68 -4.23 -0.50 0.40 115.64 120.96 2pwv s THR 101 Ca 0.15 -0.29 -0.11 0.00 -1.18 0.00 0.00 61.69 60.26 2pwv s THR 101 Cb -0.14 -2.79 0.05 0.00 1.34 0.00 0.00 72.50 70.95 2pwv s THR 101 CO 0.06 0.51 1.09 -0.62 -0.54 0.00 0.00 174.62 175.12 2pwv s ASP 102 N 0.09 4.87 0.23 3.99 3.68 -0.65 -3.19 116.67 125.69 2pwv s ASP 102 Ca 0.01 1.35 0.25 0.00 2.13 0.00 0.00 52.55 56.28 2pwv s ASP 102 Cb -0.13 -2.13 0.56 0.00 -1.45 0.00 0.00 42.92 39.77 2pwv s ASP 102 CO 0.02 -1.73 1.59 0.77 0.13 0.00 0.00 175.17 175.95 2pwv h SER 103 N -0.92 0.00 0.00 -0.34 4.64 -1.82 -3.01 113.55 112.10 2pwv h SER 103 Ca -0.46 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2pwv h SER 103 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2pwv h SER 103 CO 0.59 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.19 2pwv n GLY 104 N 1.27 2.88 0.00 -0.77 0.00 -1.26 -4.70 105.19 102.61 2pwv n GLY 104 Ca 0.04 -0.79 0.01 0.00 0.00 0.00 0.00 46.02 45.28 2pwv n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pwv n GLY 105 N 0.00 -0.43 0.07 -0.02 0.00 -1.26 -1.50 105.19 102.04 2pwv n GLY 105 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 2pwv n GLY 105 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2pwv h TYR 106 N 0.00 0.00 -0.15 1.61 3.20 -1.92 -3.07 116.97 116.64 2pwv h TYR 106 Ca 0.00 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 2pwv h TYR 106 Cb 0.02 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 2pwv h TYR 106 CO 0.00 0.49 -0.29 1.96 -1.64 0.00 0.00 178.16 178.68 2pwv h GLN 107 N -1.00 0.29 -0.17 1.82 7.50 -1.92 -1.74 115.11 119.88 2pwv h GLN 107 Ca -0.04 -0.11 0.02 0.00 0.50 0.00 0.00 58.65 59.02 2pwv h GLN 107 Cb 0.55 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.04 2pwv h GLN 107 CO -0.03 0.56 0.04 0.28 -1.50 0.00 0.00 178.83 178.18 2pwv h VAL 108 N 0.25 0.94 0.00 -0.54 2.07 -1.41 1.46 116.25 119.02 2pwv h VAL 108 Ca 0.04 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2pwv h VAL 108 Cb 0.65 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2pwv h VAL 108 CO 0.05 0.02 -0.05 0.24 0.02 0.00 0.00 177.57 177.85 2pwv h MET 109 N 0.12 0.00 0.00 1.57 2.86 -1.36 -3.29 114.93 114.83 2pwv h MET 109 Ca 0.08 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.44 2pwv h MET 109 Cb 0.06 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 2pwv h MET 109 CO -0.09 0.05 -2.04 -1.13 1.06 0.00 0.00 176.91 174.76 2pwv n SER 110 N -3.61 2.13 0.07 1.22 3.41 -0.45 -5.10 113.62 111.30 2pwv n SER 110 Ca -0.02 -0.06 0.06 0.00 -0.26 0.00 0.00 58.87 58.58 2pwv n SER 110 Cb 0.16 0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.19 2pwv n SER 110 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2pwv n LEU 111 N -2.86 0.86 -0.00 1.04 4.32 0.49 -5.07 117.00 115.77 2pwv n LEU 111 Ca -0.30 0.35 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 2pwv n LEU 111 Cb 0.90 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.70 2pwv n LEU 111 CO 0.23 -0.03 0.00 2.29 -1.22 0.00 0.00 177.39 178.66 2pwv n LYS 116 N -2.78 0.00 -3.66 3.23 -0.00 0.59 -5.02 118.16 110.51 2pwv n LYS 116 Ca -0.05 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.89 2pwv n LYS 116 Cb 0.69 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 35.60 2pwv n LYS 116 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2pwv s GLN 117 N 0.00 3.60 0.32 -1.58 2.00 -1.26 -0.73 119.66 122.01 2pwv s GLN 117 Ca 0.00 -0.54 0.05 0.00 -2.00 0.00 0.00 55.36 52.87 2pwv s GLN 117 Cb 0.00 -3.52 -0.03 0.00 0.80 0.00 0.00 33.01 30.26 2pwv s GLN 117 CO 0.00 -0.28 0.30 -1.54 -0.50 0.00 0.00 175.29 173.27 2pwv s SER 118 N 1.66 1.40 0.52 6.67 1.04 -0.43 -5.04 113.70 119.51 2pwv s SER 118 Ca 0.06 -1.67 0.19 0.00 0.48 0.00 0.00 55.95 55.00 2pwv s SER 118 Cb -0.16 0.56 1.34 0.00 0.10 0.00 0.00 66.02 67.85 2pwv s SER 118 CO 0.07 -1.08 2.14 -0.08 0.98 0.00 0.00 173.24 175.26 2pwv h GLU 119 N 2.18 0.00 -0.16 4.02 4.57 -2.03 -2.73 114.58 120.43 2pwv h GLU 119 Ca -0.27 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.70 2pwv h GLU 119 Cb 1.23 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.83 2pwv h GLU 119 CO 0.38 0.04 -0.75 0.93 -1.18 0.00 0.00 179.01 178.43 2pwv h GLU 120 N 0.00 0.75 0.00 1.92 4.39 -1.97 -3.49 114.58 116.18 2pwv h GLU 120 Ca -0.00 -0.60 0.00 0.00 0.34 0.00 0.00 59.36 59.10 2pwv h GLU 120 Cb 0.08 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2pwv h GLU 120 CO 0.01 1.21 0.00 0.41 -1.16 0.00 0.00 179.01 179.48 2pwv n GLY 121 N 0.65 -0.53 3.22 -3.84 0.00 -1.03 -4.38 105.19 99.28 2pwv n GLY 121 Ca -0.07 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 2pwv n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pwv s VAL 122 N 0.00 -0.01 -0.11 1.61 0.11 0.49 -1.31 120.40 121.18 2pwv s VAL 122 Ca 0.00 0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.05 2pwv s VAL 122 Cb 0.00 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 2pwv s VAL 122 CO 0.00 0.01 -0.01 0.42 -3.33 0.00 0.00 175.10 172.20 2pwv s THR 123 N 0.46 4.23 0.20 5.04 -4.23 0.09 0.51 115.64 121.95 2pwv s THR 123 Ca -0.02 -0.26 -0.06 0.00 -1.18 0.00 0.00 61.69 60.17 2pwv s THR 123 Cb -0.04 -2.81 -0.02 0.00 1.34 0.00 0.00 72.50 70.97 2pwv s THR 123 CO -0.02 0.56 0.25 0.72 -0.54 0.00 0.00 174.62 175.59 2pwv s PHE 124 N -0.43 0.78 -0.83 3.99 -0.71 -1.26 -0.30 117.98 119.21 2pwv s PHE 124 Ca 0.08 -1.07 0.02 0.00 -1.04 0.00 0.00 56.93 54.91 2pwv s PHE 124 Cb -0.12 -0.25 0.33 0.00 -1.21 0.00 0.00 43.02 41.77 2pwv s PHE 124 CO 0.02 -0.75 1.43 0.36 -1.34 0.00 0.00 175.22 174.94 2pwv n LYS 125 N -0.28 4.46 -2.77 1.99 0.00 -1.26 -5.06 118.16 115.24 2pwv n LYS 125 Ca -0.01 -4.75 -0.41 0.00 -0.00 0.00 0.00 58.31 53.13 2pwv n LYS 125 Cb 0.64 -2.37 -0.04 0.00 -0.00 0.00 0.00 35.03 33.26 2pwv n LYS 125 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 2pwv s MET 134 N -3.92 4.59 -0.04 -1.58 1.75 -1.26 -5.17 119.30 113.68 2pwv s MET 134 Ca 0.43 1.35 -0.00 0.00 -1.25 0.00 0.00 55.69 56.22 2pwv s MET 134 Cb 0.22 -3.42 0.03 0.00 2.84 0.00 0.00 34.83 34.50 2pwv s MET 134 CO -0.13 0.08 0.00 -0.51 -0.65 0.00 0.00 175.02 173.82 2pwv s LEU 135 N 0.55 0.94 0.26 4.11 1.43 0.18 -4.95 118.68 121.20 2pwv s LEU 135 Ca 0.48 -0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.59 2pwv s LEU 135 Cb -0.21 -0.27 -0.05 0.00 0.03 0.00 0.00 46.19 45.68 2pwv s LEU 135 CO 0.27 -0.13 -0.02 -0.94 0.23 0.00 0.00 176.35 175.77 2pwv s SER 136 N 1.33 2.19 0.20 2.29 1.04 -1.26 0.18 113.70 119.68 2pwv s SER 136 Ca -0.05 -1.23 -0.13 0.00 0.48 0.00 0.00 55.95 55.03 2pwv s SER 136 Cb -0.13 -0.06 0.24 0.00 0.10 0.00 0.00 66.02 66.17 2pwv s SER 136 CO -0.02 -0.47 1.66 -0.65 0.98 0.00 0.00 173.24 174.74 2pwv h PRO 137 N 2.37 0.07 -0.47 4.02 0.11 -1.90 -0.97 132.00 135.23 2pwv h PRO 137 Ca -0.39 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2pwv h PRO 137 Cb 1.23 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2pwv h PRO 137 CO 0.66 0.05 0.31 0.93 -0.21 0.00 0.00 178.00 179.74 2pwv h GLU 138 N 0.07 0.63 -0.25 1.05 3.07 -1.91 -1.62 114.58 115.62 2pwv h GLU 138 Ca 0.29 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 59.00 2pwv h GLU 138 Cb 0.46 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.23 2pwv h GLU 138 CO -0.53 0.42 -0.29 -0.09 -1.40 0.00 0.00 179.01 177.12 2pwv h ARG 139 N 0.64 0.65 -0.18 2.33 9.65 -1.89 -1.77 114.38 123.81 2pwv h ARG 139 Ca 0.17 -0.36 0.05 0.00 -1.10 0.00 0.00 59.98 58.75 2pwv h ARG 139 Cb -0.06 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 28.48 2pwv h ARG 139 CO -0.04 0.96 -0.22 1.03 2.80 0.00 0.00 179.97 184.51 2pwv h SER 140 N 0.36 -0.70 -0.73 -3.80 0.87 -1.09 0.24 113.55 108.69 2pwv h SER 140 Ca 0.03 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.69 2pwv h SER 140 Cb 0.87 0.32 -0.04 0.00 -0.44 0.00 0.00 62.40 63.11 2pwv h SER 140 CO 0.07 -0.27 0.37 0.40 -0.53 0.00 0.00 176.83 176.87 2pwv h ILE 141 N -0.26 1.23 -0.33 2.23 1.08 -1.19 -1.81 117.51 118.46 2pwv h ILE 141 Ca 0.12 -0.65 -0.09 0.00 -0.39 0.00 0.00 64.86 63.85 2pwv h ILE 141 Cb 0.43 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 2pwv h ILE 141 CO -0.33 0.28 -0.13 -0.08 -0.69 0.00 0.00 178.15 177.20 2pwv h GLU 142 N 1.06 0.68 -0.56 2.37 4.81 -0.42 -2.01 114.58 120.51 2pwv h GLU 142 Ca 0.26 -0.28 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 2pwv h GLU 142 Cb 0.10 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 2pwv h GLU 142 CO -0.03 0.87 0.29 0.82 -0.73 0.00 0.00 179.01 180.22 2pwv h ILE 143 N 0.45 0.95 -0.71 2.32 2.04 -0.37 0.15 117.51 122.35 2pwv h ILE 143 Ca 0.08 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 2pwv h ILE 143 Cb 0.65 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 2pwv h ILE 143 CO 0.04 0.10 0.23 1.56 0.00 0.00 0.00 178.15 180.08 2pwv h GLN 144 N 0.54 1.09 -0.27 2.37 4.20 -1.23 0.74 115.11 122.55 2pwv h GLN 144 Ca 0.25 -0.22 0.01 0.00 0.06 0.00 0.00 58.65 58.75 2pwv h GLN 144 Cb 0.16 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2pwv h GLN 144 CO -0.17 0.92 0.16 1.25 -0.67 0.00 0.00 178.83 180.32 2pwv h HIS 145 N 1.05 0.30 -0.88 2.96 2.76 -0.77 -1.27 115.15 119.29 2pwv h HIS 145 Ca 0.23 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 2pwv h HIS 145 Cb 0.29 -0.10 -0.04 0.00 1.55 0.00 0.00 27.41 29.11 2pwv h HIS 145 CO 0.02 0.18 0.57 -0.07 -1.30 0.00 0.00 177.93 177.33 2pwv h LEU 146 N 0.33 1.03 -2.33 0.26 3.38 0.54 -0.20 115.31 118.32 2pwv h LEU 146 Ca 0.11 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2pwv h LEU 146 Cb -0.01 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 2pwv h LEU 146 CO -0.05 0.77 -0.01 -0.07 0.09 0.00 0.00 178.44 179.17 2pwv h LEU 147 N 1.20 0.00 -0.13 1.67 3.38 -0.76 -3.35 115.31 117.32 2pwv h LEU 147 Ca 0.32 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.20 2pwv h LEU 147 Cb -0.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.66 2pwv h LEU 147 CO -0.07 0.01 -0.13 0.61 0.09 0.00 0.00 178.44 178.95 2pwv n GLY 148 N -0.63 0.40 3.74 0.83 0.00 -0.09 -0.59 105.19 108.86 2pwv n GLY 148 Ca -0.02 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 2pwv n GLY 148 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pwv s SER 149 N -2.93 4.96 -0.15 1.61 0.15 -0.52 -4.90 113.70 111.92 2pwv s SER 149 Ca 0.06 2.69 -0.06 0.00 0.70 0.00 0.00 55.95 59.34 2pwv s SER 149 Cb -0.03 -2.63 -0.24 0.00 -1.71 0.00 0.00 66.02 61.41 2pwv s SER 149 CO 0.08 -1.77 0.25 0.47 1.20 0.00 0.00 173.24 173.47 2pwv n ASP 150 N -1.44 2.09 -4.04 5.45 9.92 0.40 -4.75 116.55 124.18 2pwv n ASP 150 Ca 0.13 0.17 -0.32 0.00 -0.53 0.00 0.00 54.79 54.24 2pwv n ASP 150 Cb 0.47 -0.80 -0.15 0.00 -0.64 0.00 0.00 41.12 40.00 2pwv n ASP 150 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2pwv s ILE 151 N -2.54 2.07 -0.09 0.53 1.01 -0.67 -0.84 121.20 120.67 2pwv s ILE 151 Ca -0.25 -1.70 -0.26 0.00 0.00 0.00 0.00 60.65 58.44 2pwv s ILE 151 Cb 0.07 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 2pwv s ILE 151 CO 0.73 -0.16 0.81 -0.69 0.00 0.00 0.00 174.94 175.63 2pwv s VAL 152 N 1.12 4.95 -0.09 2.92 1.01 -0.20 -1.41 120.40 128.69 2pwv s VAL 152 Ca -0.05 1.65 -0.16 0.00 0.00 0.00 0.00 61.98 63.43 2pwv s VAL 152 Cb -0.20 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 2pwv s VAL 152 CO -0.06 0.15 0.41 -0.04 0.00 0.00 0.00 175.10 175.56 2pwv s MET 153 N 1.34 4.17 0.58 2.72 -1.94 -1.19 -0.92 119.30 124.06 2pwv s MET 153 Ca 0.41 0.35 -0.19 0.00 -1.71 0.00 0.00 55.69 54.55 2pwv s MET 153 Cb -0.18 -3.36 -0.06 0.00 2.01 0.00 0.00 34.83 33.24 2pwv s MET 153 CO 0.18 0.36 0.90 0.00 -0.01 0.00 0.00 175.02 176.46 2pwv n ALA 154 N 3.01 -0.01 -2.66 3.03 0.00 -0.25 -4.41 120.51 119.23 2pwv n ALA 154 Ca -0.11 0.02 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 2pwv n ALA 154 Cb 0.52 -2.07 -0.05 0.00 0.00 0.00 0.00 19.45 17.85 2pwv n ALA 154 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2pwv s PHE 155 N -1.52 3.37 0.34 0.00 2.19 -1.26 -4.62 117.98 116.47 2pwv s PHE 155 Ca 0.74 1.02 0.06 0.00 0.33 0.00 0.00 56.93 59.07 2pwv s PHE 155 Cb -0.43 -2.88 -0.07 0.00 -1.31 0.00 0.00 43.02 38.33 2pwv s PHE 155 CO 0.49 -0.23 0.00 0.16 1.83 0.00 0.00 175.22 177.47 2pwv s ASP 156 N 1.23 3.07 -0.44 6.13 -4.77 -1.26 -4.25 116.67 116.38 2pwv s ASP 156 Ca 0.31 -1.32 -0.14 0.00 -3.30 0.00 0.00 52.55 48.11 2pwv s ASP 156 Cb -0.16 -0.23 0.06 0.00 -1.09 0.00 0.00 42.92 41.50 2pwv s ASP 156 CO 0.10 -0.46 0.33 -0.70 0.70 0.00 0.00 175.17 175.14 2pwv s GLU 157 N -3.77 2.89 0.66 2.11 2.12 -1.26 -4.56 118.70 116.89 2pwv s GLU 157 Ca 0.34 -1.27 -0.16 0.00 0.36 0.00 0.00 54.97 54.24 2pwv s GLU 157 Cb 0.08 -3.99 0.00 0.00 0.26 0.00 0.00 34.13 30.48 2pwv s GLU 157 CO 0.16 -0.92 1.15 0.00 -0.54 0.00 0.00 175.26 175.11 2pwv s THR 159 N -2.11 3.07 0.78 0.00 2.01 -1.26 -5.08 115.64 113.05 2pwv s THR 159 Ca 0.71 -0.62 -0.13 0.00 0.31 0.00 0.00 61.69 61.95 2pwv s THR 159 Cb -0.24 -2.34 0.07 0.00 0.01 0.00 0.00 72.50 70.00 2pwv s THR 159 CO 0.40 0.48 1.18 -2.84 -0.69 0.00 0.00 174.62 173.16 2pwv s PRO 160 N 0.96 1.86 -0.10 4.92 0.02 -1.26 -4.92 135.00 136.48 2pwv s PRO 160 Ca -0.01 1.67 0.04 0.00 0.02 0.00 0.00 61.00 62.71 2pwv s PRO 160 Cb -0.15 -1.81 -0.00 0.00 0.02 0.00 0.00 34.50 32.56 2pwv s PRO 160 CO -0.01 -2.03 -0.23 -0.47 -0.33 0.00 0.00 177.00 173.93 2pwv s TYR 161 N -2.22 2.57 0.83 6.54 5.04 -1.26 -3.62 117.35 125.23 2pwv s TYR 161 Ca 0.71 -0.96 -0.12 0.00 -2.44 0.00 0.00 57.07 54.27 2pwv s TYR 161 Cb -0.27 -1.71 0.09 0.00 0.35 0.00 0.00 41.96 40.43 2pwv s TYR 161 CO 0.49 -0.37 1.12 -1.25 -1.34 0.00 0.00 175.55 174.20 2pwv s PRO 162 N 0.26 1.83 -0.01 4.97 0.04 -1.26 -4.86 135.00 135.97 2pwv s PRO 162 Ca -0.16 0.47 -0.02 0.00 0.04 0.00 0.00 61.00 61.33 2pwv s PRO 162 Cb -0.17 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2pwv s PRO 162 CO 0.08 -1.76 0.04 0.00 0.04 0.00 0.00 177.00 175.40 2pwv s ALA 163 N -3.25 -0.10 0.57 8.56 0.00 -1.24 -5.14 121.76 121.16 2pwv s ALA 163 Ca 0.62 0.07 -0.16 0.00 0.00 0.00 0.00 51.96 52.49 2pwv s ALA 163 Cb -0.14 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 2pwv s ALA 163 CO 0.53 -0.03 1.03 0.95 0.00 0.00 0.00 175.76 178.24 2pwv s THR 164 N -0.11 4.13 0.39 0.00 -4.23 -1.26 -4.81 115.64 109.75 2pwv s THR 164 Ca -0.01 0.99 0.13 0.00 -1.18 0.00 0.00 61.69 61.62 2pwv s THR 164 Cb -0.01 -3.53 0.35 0.00 1.34 0.00 0.00 72.50 70.65 2pwv s THR 164 CO 0.00 -0.61 1.87 -0.65 -0.54 0.00 0.00 174.62 174.69 2pwv h PRO 165 N 0.54 0.51 -0.09 3.99 0.11 -2.00 0.33 132.00 135.39 2pwv h PRO 165 Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 2pwv h PRO 165 Cb 1.20 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2pwv h PRO 165 CO 0.59 0.34 -0.09 1.03 -0.21 0.00 0.00 178.00 179.66 2pwv h SER 166 N 0.53 0.24 -0.61 -2.05 0.87 -1.99 0.80 113.55 111.34 2pwv h SER 166 Ca 0.44 -0.48 0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2pwv h SER 166 Cb 0.91 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.77 2pwv h SER 166 CO -0.18 0.67 0.40 0.03 -0.53 0.00 0.00 176.83 177.22 2pwv h ARG 167 N -0.18 0.79 -0.67 2.24 3.08 -1.87 -0.06 114.38 117.70 2pwv h ARG 167 Ca 0.02 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2pwv h ARG 167 Cb 0.60 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 2pwv h ARG 167 CO 0.02 0.52 0.31 0.00 -1.07 0.00 0.00 179.97 179.75 2pwv h ALA 168 N 1.23 0.87 -0.16 0.04 0.00 -0.86 -0.05 119.26 120.34 2pwv h ALA 168 Ca 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2pwv h ALA 168 Cb -0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2pwv h ALA 168 CO -0.06 0.45 0.08 0.00 0.00 0.00 0.00 179.25 179.72 2pwv h ALA 169 N 1.14 0.20 -0.42 0.00 0.00 -0.49 0.13 119.26 119.83 2pwv h ALA 169 Ca 0.23 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2pwv h ALA 169 Cb 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2pwv h ALA 169 CO -0.03 -0.24 0.21 0.77 0.00 0.00 0.00 179.25 179.97 2pwv h SER 170 N 0.13 0.32 -0.33 0.00 0.02 -0.91 -0.36 113.55 112.41 2pwv h SER 170 Ca 0.05 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.92 2pwv h SER 170 Cb 0.11 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2pwv h SER 170 CO -0.01 0.23 -0.20 -1.28 -1.14 0.00 0.00 176.83 174.43 2pwv h SER 171 N 0.43 0.75 -0.42 3.07 0.87 -0.80 -2.04 113.55 115.42 2pwv h SER 171 Ca 0.18 -0.42 0.03 0.00 -1.23 0.00 0.00 61.79 60.34 2pwv h SER 171 Cb 0.07 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 2pwv h SER 171 CO -0.12 1.01 0.22 -0.03 -0.53 0.00 0.00 176.83 177.39 2pwv h MET 172 N 0.50 0.43 -0.85 2.24 -1.53 -0.62 -1.38 114.93 113.72 2pwv h MET 172 Ca 0.07 -0.03 -0.03 0.00 -3.44 0.00 0.00 59.70 56.27 2pwv h MET 172 Cb 0.75 -0.10 -0.04 0.00 -0.55 0.00 0.00 31.60 31.66 2pwv h MET 172 CO 0.06 0.29 0.40 0.93 0.14 0.00 0.00 176.91 178.73 2pwv h GLU 173 N 0.45 1.23 -0.35 0.39 5.08 -0.86 -1.05 114.58 119.47 2pwv h GLU 173 Ca 0.17 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2pwv h GLU 173 Cb 0.06 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2pwv h GLU 173 CO -0.11 0.94 0.21 -0.09 -1.00 0.00 0.00 179.01 178.96 2pwv h ARG 174 N 1.21 0.47 -0.96 2.33 2.43 -1.13 -1.24 114.38 117.50 2pwv h ARG 174 Ca 0.29 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.51 2pwv h ARG 174 Cb 0.13 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.51 2pwv h ARG 174 CO -0.04 0.36 0.62 0.77 -1.51 0.00 0.00 179.97 180.17 2pwv h SER 175 N 0.45 0.92 -0.11 -3.80 0.02 -0.72 0.90 113.55 111.21 2pwv h SER 175 Ca 0.12 0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.94 2pwv h SER 175 Cb 0.01 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 2pwv h SER 175 CO -0.02 0.55 -0.50 0.24 -1.14 0.00 0.00 176.83 175.96 2pwv h MET 176 N 1.02 0.68 -0.53 3.45 2.86 -0.81 0.69 114.93 122.30 2pwv h MET 176 Ca 0.44 -0.41 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 2pwv h MET 176 Cb 0.33 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 2pwv h MET 176 CO -0.20 1.02 0.14 0.00 1.06 0.00 0.00 176.91 178.94 2pwv h ARG 177 N 0.54 0.85 -0.19 1.72 3.08 0.01 -2.39 114.38 117.99 2pwv h ARG 177 Ca 0.02 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 2pwv h ARG 177 Cb 1.06 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 2pwv h ARG 177 CO 0.10 0.80 -0.16 -1.49 -1.07 0.00 0.00 179.97 178.15 2pwv h TRP 178 N 0.74 0.34 -0.72 3.04 4.06 0.10 -2.29 115.95 121.22 2pwv h TRP 178 Ca 0.17 -0.05 -0.00 0.00 2.06 0.00 0.00 58.89 61.07 2pwv h TRP 178 Cb 0.32 -0.09 -0.04 0.00 -1.00 0.00 0.00 29.16 28.36 2pwv h TRP 178 CO 0.02 0.47 0.45 0.00 -3.56 0.00 0.00 178.44 175.83 2pwv h ALA 179 N 1.54 0.92 -0.62 1.49 0.00 0.72 -0.11 119.26 123.19 2pwv h ALA 179 Ca 0.06 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2pwv h ALA 179 Cb 0.46 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2pwv h ALA 179 CO 0.03 0.37 0.14 -0.22 0.00 0.00 0.00 179.25 179.57 2pwv h LYS 180 N 0.98 1.01 -0.49 0.00 1.63 -1.28 -1.03 116.57 117.39 2pwv h LYS 180 Ca 0.26 -0.25 -0.08 0.00 -0.85 0.00 0.00 60.65 59.73 2pwv h LYS 180 Cb -0.06 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.42 2pwv h LYS 180 CO -0.05 0.92 -0.02 0.00 -3.45 0.00 0.00 179.45 176.85 2pwv h ARG 181 N 0.92 0.83 -0.04 1.90 3.08 -1.05 -1.49 114.38 118.53 2pwv h ARG 181 Ca 0.19 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2pwv h ARG 181 Cb 0.38 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 2pwv h ARG 181 CO 0.01 0.84 0.02 0.77 -1.07 0.00 0.00 179.97 180.54 2pwv h SER 182 N 0.77 0.05 -0.05 7.04 0.02 -0.79 -1.02 113.55 119.57 2pwv h SER 182 Ca 0.14 -0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 2pwv h SER 182 Cb 0.49 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.97 2pwv h SER 182 CO 0.02 0.12 -0.30 -0.09 -1.14 0.00 0.00 176.83 175.44 2pwv h ARG 183 N -0.03 -0.40 -0.45 3.45 9.65 -1.04 -0.41 114.38 125.16 2pwv h ARG 183 Ca 0.01 0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 58.85 2pwv h ARG 183 Cb 0.08 0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 2pwv h ARG 183 CO -0.00 -0.27 -0.02 -0.44 2.80 0.00 0.00 179.97 182.04 2pwv h ASP 184 N -0.42 0.71 -0.31 -3.80 3.32 -1.25 -1.81 116.42 112.86 2pwv h ASP 184 Ca 0.07 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 2pwv h ASP 184 Cb 0.53 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2pwv h ASP 184 CO -0.28 0.79 -0.03 0.00 -1.72 0.00 0.00 179.24 177.99 2pwv h ALA 185 N 1.29 0.43 -0.02 3.45 0.00 -0.81 -2.32 119.26 121.28 2pwv h ALA 185 Ca 0.13 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2pwv h ALA 185 Cb 0.45 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2pwv h ALA 185 CO 0.02 0.21 -0.27 0.35 0.00 0.00 0.00 179.25 179.57 2pwv h PHE 186 N 0.36 -0.72 -0.01 0.00 3.04 -1.01 -2.84 116.94 115.76 2pwv h PHE 186 Ca 0.08 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.06 2pwv h PHE 186 Cb 0.50 0.32 -0.00 0.00 2.56 0.00 0.00 35.95 39.33 2pwv h PHE 186 CO 0.04 -0.36 0.01 -0.44 -2.02 0.00 0.00 178.31 175.54 2pwv h ASP 187 N -0.40 0.00 1.24 0.41 3.32 -1.27 -2.55 116.42 117.17 2pwv h ASP 187 Ca 0.07 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 2pwv h ASP 187 Cb 0.49 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 2pwv h ASP 187 CO -0.25 0.00 -0.37 0.28 -1.72 0.00 0.00 179.24 177.18 2pwv h SER 188 N 0.00 0.00 -3.18 6.45 0.02 -1.16 -3.41 113.55 112.27 2pwv h SER 188 Ca 0.00 0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 60.21 2pwv h SER 188 Cb 0.02 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.33 2pwv h SER 188 CO -0.00 0.37 0.05 -0.60 -1.14 0.00 0.00 176.83 175.52 2pwv s ARG 189 N -3.29 3.22 0.22 3.45 3.52 -0.96 -4.94 118.95 120.17 2pwv s ARG 189 Ca 0.02 -1.80 -0.08 0.00 -0.13 0.00 0.00 55.73 53.74 2pwv s ARG 189 Cb 0.09 -4.38 0.29 0.00 -1.56 0.00 0.00 34.95 29.39 2pwv s ARG 189 CO 0.70 -1.42 1.81 1.57 -0.81 0.00 0.00 175.30 177.15 2pwv h LYS 190 N 8.67 0.70 -0.39 5.12 5.09 -1.83 0.10 116.57 134.04 2pwv h LYS 190 Ca -0.15 -0.04 0.01 0.00 0.09 0.00 0.00 60.65 60.56 2pwv h LYS 190 Cb 1.07 -0.16 -0.02 0.00 0.10 0.00 0.00 32.23 33.22 2pwv h LYS 190 CO 0.99 0.47 0.24 1.49 -2.09 0.00 0.00 179.45 180.54 2pwv h GLU 191 N 0.72 0.47 -0.08 0.07 4.57 -1.93 -0.81 114.58 117.59 2pwv h GLU 191 Ca 0.33 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.48 2pwv h GLU 191 Cb 0.24 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2pwv h GLU 191 CO -0.20 0.31 0.04 0.37 -1.18 0.00 0.00 179.01 178.35 2pwv h GLN 192 N 0.48 0.11 0.00 1.92 4.15 -1.57 -2.77 115.11 117.44 2pwv h GLN 192 Ca 0.15 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 2pwv h GLN 192 Cb -0.01 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 2pwv h GLN 192 CO -0.06 0.20 -0.19 0.00 -1.93 0.00 0.00 178.83 176.85 2pwv h ALA 193 N 0.91 1.30 0.00 3.38 0.00 -0.57 -0.37 119.26 123.91 2pwv h ALA 193 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2pwv h ALA 193 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2pwv h ALA 193 CO -0.00 0.23 -0.65 0.39 0.00 0.00 0.00 179.25 179.22 2pwv n GLU 194 N -3.74 0.17 0.00 0.00 1.02 -0.33 -4.47 120.64 113.28 2pwv n GLU 194 Ca -0.02 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2pwv n GLU 194 Cb 0.30 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 2pwv n GLU 194 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2pwv n ASN 195 N -1.82 4.06 -4.86 1.62 3.02 -1.01 -4.77 115.26 111.50 2pwv n ASN 195 Ca 0.04 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.34 2pwv n ASN 195 Cb 0.39 0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 40.27 2pwv n ASN 195 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pwv s ALA 196 N -1.66 4.16 0.26 5.41 0.00 -0.18 -4.75 121.76 125.00 2pwv s ALA 196 Ca 0.00 -1.57 0.10 0.00 0.00 0.00 0.00 51.96 50.49 2pwv s ALA 196 Cb 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 2pwv s ALA 196 CO 0.00 -0.33 -0.17 0.00 0.00 0.00 0.00 175.76 175.26 2pwv s ALA 197 N -2.67 2.52 -0.08 0.00 0.00 -0.02 -4.78 121.76 116.74 2pwv s ALA 197 Ca 0.38 -1.83 0.01 0.00 0.00 0.00 0.00 51.96 50.52 2pwv s ALA 197 Cb -0.01 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.97 2pwv s ALA 197 CO 0.23 0.18 -0.09 -1.17 0.00 0.00 0.00 175.76 174.90 2pwv s LEU 198 N -3.46 1.39 -0.02 0.00 2.96 -1.26 -1.03 118.68 117.27 2pwv s LEU 198 Ca 0.28 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.95 2pwv s LEU 198 Cb -0.03 -0.78 -0.03 0.00 0.50 0.00 0.00 46.19 45.85 2pwv s LEU 198 CO 0.12 -0.05 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.63 2pwv s PHE 199 N 1.16 2.77 0.27 5.38 0.40 -0.09 -1.34 117.98 126.52 2pwv s PHE 199 Ca -0.06 -0.11 0.03 0.00 -0.60 0.00 0.00 56.93 56.19 2pwv s PHE 199 Cb -0.14 -1.60 -0.03 0.00 0.51 0.00 0.00 43.02 41.76 2pwv s PHE 199 CO -0.02 0.28 0.42 0.20 0.70 0.00 0.00 175.22 176.80 2pwv s GLY 200 N -1.12 1.32 -0.13 4.36 0.00 -0.73 -1.08 107.32 109.93 2pwv s GLY 200 Ca 0.14 -1.09 0.02 0.00 0.00 0.00 0.00 44.72 43.80 2pwv s GLY 200 CO 0.04 -1.07 -0.20 -0.42 0.00 0.00 0.00 173.10 171.45 2pwv s ILE 201 N -2.07 1.87 0.16 0.90 1.01 -1.26 -0.53 121.20 121.29 2pwv s ILE 201 Ca 0.36 -0.87 -0.27 0.00 0.00 0.00 0.00 60.65 59.87 2pwv s ILE 201 Cb -0.09 -1.67 -0.08 0.00 0.01 0.00 0.00 42.46 40.63 2pwv s ILE 201 CO 0.31 0.51 0.85 -1.58 0.00 0.00 0.00 174.94 175.04 2pwv s GLN 202 N 0.84 4.67 0.00 2.79 0.74 0.55 -4.84 119.66 124.40 2pwv s GLN 202 Ca -0.08 1.29 0.00 0.00 0.05 0.00 0.00 55.36 56.62 2pwv s GLN 202 Cb -0.15 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.66 2pwv s GLN 202 CO -0.01 0.46 0.00 1.04 -0.55 0.00 0.00 175.29 176.23 2pwv n GLN 203 N 1.91 1.05 0.00 1.67 1.13 -1.26 0.97 117.38 122.84 2pwv n GLN 203 Ca -0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 2pwv n GLN 203 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.83 2pwv n GLN 203 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pwv n GLY 204 N 2.39 1.46 7.00 1.08 0.00 -1.26 -4.27 105.19 111.59 2pwv n GLY 204 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2pwv n GLY 204 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2pwv n SER 205 N 0.00 0.00 -1.34 1.61 2.88 -1.26 -2.07 113.62 113.44 2pwv n SER 205 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 2pwv n SER 205 Cb 0.00 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 63.78 2pwv n SER 205 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2pwv n VAL 206 N 0.00 2.45 -3.56 2.46 0.24 -1.26 -4.96 118.33 113.71 2pwv n VAL 206 Ca 0.00 -1.64 -0.39 0.00 -2.04 0.00 0.00 64.34 60.27 2pwv n VAL 206 Cb 0.00 -0.23 -0.11 0.00 -1.47 0.00 0.00 33.84 32.03 2pwv n VAL 206 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2pwv s PHE 207 N -2.73 3.22 0.26 6.34 0.08 -0.88 -4.95 117.98 119.32 2pwv s PHE 207 Ca 0.47 0.02 -0.02 0.00 0.12 0.00 0.00 56.93 57.52 2pwv s PHE 207 Cb 0.37 -2.43 0.42 0.00 -0.57 0.00 0.00 43.02 40.81 2pwv s PHE 207 CO 0.13 -0.23 1.86 1.49 -0.10 0.00 0.00 175.22 178.36 2pwv h GLU 208 N 8.40 1.06 -0.28 0.44 4.81 -1.94 0.03 114.58 127.10 2pwv h GLU 208 Ca -0.34 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.80 2pwv h GLU 208 Cb 1.18 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2pwv h GLU 208 CO 0.58 0.70 0.05 -2.95 -0.73 0.00 0.00 179.01 176.66 2pwv h ASN 209 N 1.09 0.44 -0.53 1.04 -1.07 -1.94 0.23 115.58 114.83 2pwv h ASN 209 Ca 0.43 -0.26 -0.06 0.00 0.07 0.00 0.00 56.30 56.49 2pwv h ASN 209 Cb 0.24 -0.12 -0.03 0.00 -2.07 0.00 0.00 38.32 36.35 2pwv h ASN 209 CO -0.19 0.58 0.13 -0.07 0.07 0.00 0.00 177.43 177.95 2pwv h LEU 210 N 0.27 0.84 -0.99 6.14 3.38 -1.69 -0.44 115.31 122.82 2pwv h LEU 210 Ca 0.08 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2pwv h LEU 210 Cb 0.33 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2pwv h LEU 210 CO 0.00 0.82 0.29 0.03 0.09 0.00 0.00 178.44 179.67 2pwv h ARG 211 N 0.86 1.01 -0.23 1.13 2.47 -0.59 -0.10 114.38 118.93 2pwv h ARG 211 Ca 0.18 -0.16 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 2pwv h ARG 211 Cb 0.32 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 2pwv h ARG 211 CO 0.00 0.82 0.04 0.37 0.56 0.00 0.00 179.97 181.76 2pwv h GLN 212 N 1.00 0.38 -0.72 0.04 5.75 -0.48 -0.01 115.11 121.07 2pwv h GLN 212 Ca 0.23 -0.10 0.01 0.00 -0.15 0.00 0.00 58.65 58.65 2pwv h GLN 212 Cb 0.18 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 2pwv h GLN 212 CO -0.02 0.51 0.48 1.96 -2.65 0.00 0.00 178.83 179.10 2pwv h GLN 213 N 0.19 0.94 -0.37 1.69 4.20 -0.78 -0.58 115.11 120.40 2pwv h GLN 213 Ca 0.07 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 2pwv h GLN 213 Cb 0.31 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2pwv h GLN 213 CO 0.00 0.62 0.08 1.03 -0.67 0.00 0.00 178.83 179.89 2pwv h SER 214 N 0.97 0.58 -0.70 1.46 0.87 -0.91 -0.33 113.55 115.48 2pwv h SER 214 Ca 0.27 -0.24 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 2pwv h SER 214 Cb -0.09 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.68 2pwv h SER 214 CO -0.07 0.67 0.46 0.00 -0.53 0.00 0.00 176.83 177.37 2pwv h ALA 215 N 0.93 0.89 -0.02 6.23 0.00 -0.60 -0.12 119.26 126.55 2pwv h ALA 215 Ca 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2pwv h ALA 215 Cb 0.33 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2pwv h ALA 215 CO 0.00 0.32 0.01 -0.44 0.00 0.00 0.00 179.25 179.15 2pwv h ASP 216 N 0.95 0.03 -1.01 0.00 3.32 -0.97 0.36 116.42 119.11 2pwv h ASP 216 Ca 0.26 -0.07 0.09 0.00 0.02 0.00 0.00 57.03 57.33 2pwv h ASP 216 Cb -0.10 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.37 2pwv h ASP 216 CO -0.05 0.09 0.65 0.00 -1.72 0.00 0.00 179.24 178.20 2pwv h ALA 217 N 0.94 1.44 -0.18 3.45 0.00 -0.77 -0.08 119.26 124.06 2pwv h ALA 217 Ca 0.01 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 2pwv h ALA 217 Cb 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2pwv h ALA 217 CO -0.00 0.37 -0.70 -0.07 0.00 0.00 0.00 179.25 178.85 2pwv h LEU 218 N 1.12 0.88 -1.14 0.00 3.38 -0.51 -2.03 115.31 117.01 2pwv h LEU 218 Ca 0.46 -0.54 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2pwv h LEU 218 Cb 0.28 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2pwv h LEU 218 CO -0.21 1.33 -0.20 0.00 0.09 0.00 0.00 178.44 179.45 2pwv h ALA 219 N 0.67 1.28 -0.29 1.53 0.00 -0.56 0.17 119.26 122.07 2pwv h ALA 219 Ca -0.03 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 2pwv h ALA 219 Cb 1.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2pwv h ALA 219 CO 0.14 0.48 -0.12 1.49 0.00 0.00 0.00 179.25 181.24 2pwv h GLU 220 N 0.32 0.59 -0.22 0.00 4.81 -0.88 -3.00 114.58 116.20 2pwv h GLU 220 Ca 0.06 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2pwv h GLU 220 Cb 0.54 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2pwv h GLU 220 CO 0.04 0.81 0.14 0.82 -0.73 0.00 0.00 179.01 180.09 2pwv h ILE 221 N 0.34 1.08 -0.34 2.32 2.04 -1.00 -3.49 117.51 118.46 2pwv h ILE 221 Ca 0.07 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2pwv h ILE 221 Cb 0.63 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2pwv h ILE 221 CO 0.04 0.08 0.00 0.61 0.00 0.00 0.00 178.15 178.88 2pwv n GLY 222 N -1.06 -0.50 3.31 5.37 0.00 0.57 -5.12 105.19 107.77 2pwv n GLY 222 Ca -0.03 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.77 2pwv n GLY 222 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pwv s PHE 223 N -0.03 1.52 -0.47 1.61 0.08 -1.26 -5.02 117.98 114.40 2pwv s PHE 223 Ca 0.00 -1.22 0.24 0.00 0.12 0.00 0.00 56.93 56.07 2pwv s PHE 223 Cb 0.00 -0.87 0.33 0.00 -0.57 0.00 0.00 43.02 41.90 2pwv s PHE 223 CO 0.00 -0.38 1.42 -0.44 -0.10 0.00 0.00 175.22 175.72 2pwv h ASP 224 N 2.37 0.00 -4.78 1.36 3.32 -1.61 -3.47 116.42 113.61 2pwv h ASP 224 Ca -0.37 -0.04 0.05 0.00 0.02 0.00 0.00 57.03 56.68 2pwv h ASP 224 Cb 1.25 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.65 2pwv h ASP 224 CO 0.59 0.02 0.37 -0.83 -1.72 0.00 0.00 179.24 177.67 2pwv s GLY 225 N -4.03 -0.52 -0.14 2.75 0.00 -1.24 -4.29 107.32 99.85 2pwv s GLY 225 Ca 0.05 0.85 -0.01 0.00 0.00 0.00 0.00 44.72 45.62 2pwv s GLY 225 CO 0.70 0.31 -0.05 -0.19 0.00 0.00 0.00 173.10 173.87 2pwv s TYR 226 N -3.24 1.50 0.28 1.90 1.51 -0.38 -1.78 117.35 117.15 2pwv s TYR 226 Ca 0.03 -0.86 -0.10 0.00 -1.01 0.00 0.00 57.07 55.13 2pwv s TYR 226 Cb -0.01 -1.23 -0.07 0.00 -0.11 0.00 0.00 41.96 40.54 2pwv s TYR 226 CO -0.10 -0.55 0.61 0.00 -1.11 0.00 0.00 175.55 174.40 2pwv s ALA 227 N 1.70 3.50 -0.50 3.71 0.00 0.31 -0.42 121.76 130.06 2pwv s ALA 227 Ca 0.03 -0.25 -0.16 0.00 0.00 0.00 0.00 51.96 51.57 2pwv s ALA 227 Cb -0.14 -2.51 0.09 0.00 0.00 0.00 0.00 23.12 20.56 2pwv s ALA 227 CO -0.08 0.37 0.47 0.08 0.00 0.00 0.00 175.76 176.59 2pwv s VAL 228 N -1.96 5.18 0.56 0.00 1.01 0.26 -0.33 120.40 125.11 2pwv s VAL 228 Ca 0.49 -1.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 2pwv s VAL 228 Cb -0.11 -4.23 0.03 0.00 0.00 0.00 0.00 36.38 32.07 2pwv s VAL 228 CO 0.23 -0.73 0.80 -0.83 0.00 0.00 0.00 175.10 174.58 2pwv s GLY 229 N 3.01 1.73 -0.07 4.51 0.00 0.27 -3.19 107.32 113.58 2pwv s GLY 229 Ca 0.05 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.62 2pwv s GLY 229 CO 0.06 -0.87 0.00 0.61 0.00 0.00 0.00 173.10 172.90 2pwv n GLY 230 N -2.40 0.47 0.76 0.20 0.00 -1.26 -4.53 105.19 98.43 2pwv n GLY 230 Ca 0.06 -0.23 0.07 0.00 0.00 0.00 0.00 46.02 45.93 2pwv n GLY 230 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pwv n LEU 231 N -0.08 3.46 -1.30 0.99 4.77 -1.26 -4.52 117.00 119.06 2pwv n LEU 231 Ca -0.01 -2.62 -0.01 0.00 -0.03 0.00 0.00 56.01 53.35 2pwv n LEU 231 Cb 0.07 -0.41 0.11 0.00 -2.33 0.00 0.00 43.42 40.86 2pwv n LEU 231 CO 0.01 0.69 0.22 0.00 -1.33 0.00 0.00 177.39 176.98 2pwv n ALA 232 N -0.15 3.50 -1.87 -1.18 0.00 -1.26 -4.62 120.51 114.92 2pwv n ALA 232 Ca 0.17 -3.11 -0.12 0.00 0.00 0.00 0.00 53.44 50.37 2pwv n ALA 232 Cb 0.70 -0.49 0.09 0.00 0.00 0.00 0.00 19.45 19.75 2pwv n ALA 232 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2pwv n VAL 233 N -0.60 2.39 0.00 0.00 0.24 -1.26 -4.88 118.33 114.21 2pwv n VAL 233 Ca 0.19 -3.83 0.00 0.00 -2.04 0.00 0.00 64.34 58.66 2pwv n VAL 233 Cb 0.87 -0.77 0.00 0.00 -1.47 0.00 0.00 33.84 32.46 2pwv n VAL 233 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pwv n GLY 234 N -0.86 1.24 3.76 7.63 0.00 -1.26 -4.14 105.19 111.55 2pwv n GLY 234 Ca 0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 2pwv n GLY 234 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pwv s GLN 235 N -0.13 4.28 0.75 1.61 1.11 -1.26 -5.02 119.66 121.00 2pwv s GLN 235 Ca 0.00 2.29 -0.11 0.00 0.01 0.00 0.00 55.36 57.55 2pwv s GLN 235 Cb 0.00 -3.08 0.04 0.00 -1.01 0.00 0.00 33.01 28.95 2pwv s GLN 235 CO 0.00 -0.35 1.10 0.20 0.01 0.00 0.00 175.29 176.25 2pwv s GLY 236 N 0.03 1.63 0.39 3.09 0.00 -1.26 -4.78 107.32 106.42 2pwv s GLY 236 Ca 0.55 -0.29 0.06 0.00 0.00 0.00 0.00 44.72 45.05 2pwv s GLY 236 CO 0.48 0.11 2.01 -1.61 0.00 0.00 0.00 173.10 174.09 2pwv h GLN 237 N -0.84 0.53 0.31 2.90 4.15 -1.99 -0.40 115.11 119.77 2pwv h GLN 237 Ca -0.46 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 58.90 2pwv h GLN 237 Cb 1.26 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.84 2pwv h GLN 237 CO 0.62 0.40 -0.15 -0.44 -1.93 0.00 0.00 178.83 177.33 2pwv h ASP 238 N 0.54 -0.35 -0.64 -0.69 5.19 -2.00 -0.62 116.42 117.85 2pwv h ASP 238 Ca 0.14 -0.07 0.06 0.00 -0.62 0.00 0.00 57.03 56.53 2pwv h ASP 238 Cb 0.04 0.09 -0.05 0.00 0.18 0.00 0.00 39.33 39.58 2pwv h ASP 238 CO -0.02 -0.15 0.35 -0.08 -3.12 0.00 0.00 179.24 176.22 2pwv h GLU 239 N -0.54 0.64 -0.74 3.56 4.57 -1.86 -1.76 114.58 118.46 2pwv h GLU 239 Ca -0.04 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.12 2pwv h GLU 239 Cb 0.40 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 2pwv h GLU 239 CO 0.07 0.42 0.48 1.98 -1.18 0.00 0.00 179.01 180.78 2pwv h MET 240 N 0.66 0.92 -0.55 1.92 4.05 -0.91 -2.29 114.93 118.73 2pwv h MET 240 Ca 0.29 -0.06 -0.11 0.00 -0.28 0.00 0.00 59.70 59.54 2pwv h MET 240 Cb 0.17 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 2pwv h MET 240 CO -0.18 0.61 -0.07 0.74 0.23 0.00 0.00 176.91 178.24 2pwv h PHE 241 N 0.95 1.11 -0.39 1.39 -1.00 -0.78 -1.43 116.94 116.79 2pwv h PHE 241 Ca 0.29 -0.21 -0.07 0.00 2.81 0.00 0.00 57.97 60.79 2pwv h PHE 241 Cb -0.03 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.22 2pwv h PHE 241 CO -0.03 1.02 -0.03 -0.09 -1.61 0.00 0.00 178.31 177.56 2pwv h ARG 242 N 0.91 0.64 -0.21 1.51 2.43 -1.14 0.33 114.38 118.83 2pwv h ARG 242 Ca 0.15 -0.16 -0.16 0.00 -0.81 0.00 0.00 59.98 59.00 2pwv h ARG 242 Cb 0.62 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2pwv h ARG 242 CO 0.04 0.68 -0.47 0.28 -1.51 0.00 0.00 179.97 178.99 2pwv h VAL 243 N 0.60 1.31 -0.93 0.20 2.07 -1.22 -2.94 116.25 115.34 2pwv h VAL 243 Ca 0.12 -1.69 0.03 0.00 0.82 0.00 0.00 66.70 65.98 2pwv h VAL 243 Cb 0.43 1.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 2pwv h VAL 243 CO 0.02 0.53 0.61 -0.07 0.02 0.00 0.00 177.57 178.68 2pwv h LEU 244 N 0.41 1.02 -0.87 2.57 3.38 -0.99 0.49 115.31 121.32 2pwv h LEU 244 Ca 0.00 -0.01 0.21 0.00 0.09 0.00 0.00 57.88 58.17 2pwv h LEU 244 Cb 1.08 -0.24 -0.12 0.00 0.09 0.00 0.00 40.66 41.47 2pwv h LEU 244 CO 0.10 0.70 0.34 0.44 0.09 0.00 0.00 178.44 180.12 2pwv h ASP 245 N 1.18 0.24 0.22 -0.43 3.32 -0.16 -1.99 116.42 118.80 2pwv h ASP 245 Ca 0.37 0.16 -0.21 0.00 0.02 0.00 0.00 57.03 57.37 2pwv h ASP 245 Cb -0.01 0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 2pwv h ASP 245 CO -0.11 -0.03 -1.98 2.22 -1.72 0.00 0.00 179.24 177.62 2pwv n PHE 246 N -5.09 0.31 0.03 4.55 1.16 -1.11 -4.61 117.46 112.70 2pwv n PHE 246 Ca 0.21 0.10 -0.19 0.00 -1.87 0.00 0.00 57.45 55.70 2pwv n PHE 246 Cb 0.63 -0.89 -0.12 0.00 -1.61 0.00 0.00 39.48 37.48 2pwv n PHE 246 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 2pwv h SER 247 N 0.00 0.56 -0.37 5.98 0.02 -0.40 -3.34 113.55 116.00 2pwv h SER 247 Ca -0.28 -0.83 -0.10 0.00 -0.84 0.00 0.00 61.79 59.73 2pwv h SER 247 Cb 1.71 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 64.06 2pwv h SER 247 CO 0.03 1.33 -0.15 0.58 -1.14 0.00 0.00 176.83 177.48 2pwv h VAL 248 N -0.14 1.26 0.00 2.27 2.07 -1.60 -2.08 116.25 118.03 2pwv h VAL 248 Ca -0.11 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.16 2pwv h VAL 248 Cb 1.50 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 2pwv h VAL 248 CO 0.15 0.43 0.00 -2.65 0.02 0.00 0.00 177.57 175.51 2pwv n PRO 249 N -4.14 0.02 0.16 1.57 -0.02 -1.25 -1.17 135.00 130.15 2pwv n PRO 249 Ca 0.01 0.35 0.13 0.00 -2.02 0.00 0.00 63.50 61.97 2pwv n PRO 249 Cb 0.40 -1.54 0.37 0.00 -0.02 0.00 0.00 33.50 32.71 2pwv n PRO 249 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 2pwv h MET 250 N 0.00 0.00 -6.73 -0.52 2.86 -1.49 -3.45 114.93 105.60 2pwv h MET 250 Ca 0.00 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.15 2pwv h MET 250 Cb 0.17 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 2pwv h MET 250 CO 0.00 0.00 0.10 -0.51 1.06 0.00 0.00 176.91 177.56 2pwv s LEU 251 N -5.16 4.05 0.17 1.22 1.43 -0.32 -4.80 118.68 115.27 2pwv s LEU 251 Ca 0.08 1.27 -0.34 0.00 -1.03 0.00 0.00 54.13 54.11 2pwv s LEU 251 Cb 0.09 -4.07 -0.14 0.00 0.03 0.00 0.00 46.19 42.10 2pwv s LEU 251 CO 0.59 -0.22 1.49 -2.65 0.23 0.00 0.00 176.35 175.79 2pwv n PRO 252 N -0.42 1.94 0.13 1.29 -0.02 -1.26 -4.86 135.00 131.80 2pwv n PRO 252 Ca 0.03 0.70 0.01 0.00 -2.02 0.00 0.00 63.50 62.22 2pwv n PRO 252 Cb 0.53 -2.41 0.31 0.00 -0.02 0.00 0.00 33.50 31.91 2pwv n PRO 252 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2pwv h ASP 253 N 5.25 0.15 -0.36 2.55 1.82 -1.93 -3.19 116.42 120.71 2pwv h ASP 253 Ca -0.45 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 2pwv h ASP 253 Cb 1.27 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.24 2pwv h ASP 253 CO 0.84 0.48 0.00 -0.90 -1.61 0.00 0.00 179.24 178.05 2pwv n ASP 254 N -4.10 2.55 -4.34 2.28 3.85 -1.26 -4.84 116.55 110.69 2pwv n ASP 254 Ca -0.01 -2.17 -0.23 0.00 -0.71 0.00 0.00 54.79 51.67 2pwv n ASP 254 Cb 0.41 -0.38 -0.12 0.00 -1.35 0.00 0.00 41.12 39.69 2pwv n ASP 254 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 2pwv s LYS 255 N -1.64 1.29 0.49 0.11 -0.14 -1.21 -4.90 119.74 113.75 2pwv s LYS 255 Ca 0.27 -1.39 -0.23 0.00 -1.36 0.00 0.00 55.97 53.26 2pwv s LYS 255 Cb 0.16 -1.43 -0.06 0.00 -1.68 0.00 0.00 37.83 34.82 2pwv s LYS 255 CO 0.14 0.30 1.30 -2.14 -0.76 0.00 0.00 175.35 174.19 2pwv s PRO 256 N -2.63 3.50 -0.21 -1.68 0.02 -1.26 -4.85 135.00 127.89 2pwv s PRO 256 Ca 0.15 2.11 -0.03 0.00 0.02 0.00 0.00 61.00 63.25 2pwv s PRO 256 Cb -0.07 -2.41 -0.00 0.00 0.02 0.00 0.00 34.50 32.04 2pwv s PRO 256 CO 0.07 -0.86 -0.08 -1.01 -0.33 0.00 0.00 177.00 174.78 2pwv s HIS 257 N -1.36 2.92 -0.25 6.54 3.76 -1.26 -1.25 115.29 124.40 2pwv s HIS 257 Ca 0.66 -1.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.44 2pwv s HIS 257 Cb -0.37 -2.06 0.04 0.00 1.11 0.00 0.00 32.58 31.30 2pwv s HIS 257 CO 0.45 -0.62 -0.09 -0.47 -0.85 0.00 0.00 174.74 173.16 2pwv s TYR 258 N 1.43 3.10 -0.58 1.40 5.04 0.44 0.16 117.35 128.35 2pwv s TYR 258 Ca 0.05 -1.83 -0.25 0.00 -2.44 0.00 0.00 57.07 52.60 2pwv s TYR 258 Cb -0.14 -2.01 0.04 0.00 0.35 0.00 0.00 41.96 40.21 2pwv s TYR 258 CO -0.06 -0.80 1.02 -1.17 -1.34 0.00 0.00 175.55 173.21 2pwv s LEU 259 N 1.25 3.92 0.11 6.97 2.96 -0.51 0.91 118.68 134.29 2pwv s LEU 259 Ca -0.02 -0.30 -0.30 0.00 -0.22 0.00 0.00 54.13 53.28 2pwv s LEU 259 Cb -0.17 -2.86 -0.06 0.00 0.50 0.00 0.00 46.19 43.60 2pwv s LEU 259 CO -0.06 -1.34 1.04 -0.04 -1.32 0.00 0.00 176.35 174.64 2pwv s MET 260 N 4.29 4.60 -0.66 1.98 -1.94 -1.19 -3.55 119.30 122.82 2pwv s MET 260 Ca 0.33 1.58 0.00 0.00 -1.71 0.00 0.00 55.69 55.89 2pwv s MET 260 Cb -0.11 -3.35 0.00 0.00 2.01 0.00 0.00 34.83 33.37 2pwv s MET 260 CO 0.20 0.06 0.00 0.41 -0.01 0.00 0.00 175.02 175.68 2pwv n GLY 261 N 2.43 0.84 3.49 -0.03 0.00 -1.00 -4.49 105.19 106.41 2pwv n GLY 261 Ca 0.04 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 2pwv n GLY 261 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pwv s VAL 262 N -2.11 3.46 -1.63 1.61 1.01 -0.30 -4.75 120.40 117.69 2pwv s VAL 262 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2pwv s VAL 262 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.94 2pwv s VAL 262 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2pwv n GLY 263 N 2.92 -0.69 3.75 4.51 0.00 -1.26 -3.28 105.19 111.14 2pwv n GLY 263 Ca -0.18 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 2pwv n GLY 263 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pwv s LYS 264 N -1.10 2.35 0.25 1.61 1.02 -1.26 -4.77 119.74 117.83 2pwv s LYS 264 Ca 0.00 1.42 -0.04 0.00 0.02 0.00 0.00 55.97 57.37 2pwv s LYS 264 Cb 0.00 -1.89 0.48 0.00 -0.52 0.00 0.00 37.83 35.90 2pwv s LYS 264 CO 0.00 -1.61 1.70 -1.35 -0.92 0.00 0.00 175.35 173.17 2pwv h PRO 265 N -0.53 0.33 -0.07 -1.68 0.11 -2.00 -1.08 132.00 127.07 2pwv h PRO 265 Ca -0.46 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 2pwv h PRO 265 Cb 1.25 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2pwv h PRO 265 CO 0.51 0.22 -0.47 0.38 -0.21 0.00 0.00 178.00 178.43 2pwv h ASP 266 N 0.34 0.19 -0.77 -2.05 -0.00 -2.00 -1.85 116.42 110.29 2pwv h ASP 266 Ca 0.42 -0.09 -0.05 0.00 -0.00 0.00 0.00 57.03 57.31 2pwv h ASP 266 Cb 0.71 -0.05 -0.03 0.00 -0.00 0.00 0.00 39.33 39.95 2pwv h ASP 266 CO -0.47 0.64 0.28 0.44 -0.00 0.00 0.00 179.24 180.12 2pwv h ASP 267 N 0.15 1.09 -0.33 4.15 3.45 -1.59 -2.25 116.42 121.09 2pwv h ASP 267 Ca 0.01 -0.19 -0.02 0.00 0.43 0.00 0.00 57.03 57.26 2pwv h ASP 267 Cb 0.89 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 39.36 2pwv h ASP 267 CO 0.07 0.99 0.12 0.40 -1.57 0.00 0.00 179.24 179.24 2pwv h ILE 268 N 1.13 1.20 0.22 0.35 2.04 -0.57 0.08 117.51 121.97 2pwv h ILE 268 Ca 0.25 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 2pwv h ILE 268 Cb 0.26 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2pwv h ILE 268 CO -0.01 0.21 -0.11 0.58 0.00 0.00 0.00 178.15 178.82 2pwv h VAL 269 N 0.38 0.79 -0.58 1.67 2.07 -1.28 -1.47 116.25 117.84 2pwv h VAL 269 Ca 0.11 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 2pwv h VAL 269 Cb 0.22 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2pwv h VAL 269 CO -0.01 0.00 0.28 1.23 0.02 0.00 0.00 177.57 179.10 2pwv h GLY 270 N -0.30 0.87 0.99 2.17 0.00 -1.32 -1.89 103.07 103.58 2pwv h GLY 270 Ca -0.03 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 2pwv h GLY 270 CO 0.05 0.38 0.25 0.00 0.00 0.00 0.00 176.54 177.22 2pwv h ALA 271 N 1.50 0.76 -0.50 3.60 0.00 -0.82 -2.69 119.26 121.10 2pwv h ALA 271 Ca 0.20 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2pwv h ALA 271 Cb 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2pwv h ALA 271 CO -0.03 0.35 -0.04 0.28 0.00 0.00 0.00 179.25 179.82 2pwv h VAL 272 N 0.80 1.25 0.00 0.00 2.07 -0.86 -0.78 116.25 118.74 2pwv h VAL 272 Ca 0.20 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2pwv h VAL 272 Cb 0.17 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2pwv h VAL 272 CO -0.02 0.39 0.01 -0.33 0.02 0.00 0.00 177.57 177.64 2pwv h GLU 273 N 0.79 0.00 -0.37 1.57 5.08 -1.12 -0.72 114.58 119.81 2pwv h GLU 273 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2pwv h GLU 273 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2pwv h GLU 273 CO 0.03 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.58 2pwv n ARG 274 N -3.05 2.35 0.00 2.33 1.74 -0.36 -4.18 116.66 115.49 2pwv n ARG 274 Ca -0.03 -2.15 0.00 0.00 -0.77 0.00 0.00 57.85 54.90 2pwv n ARG 274 Cb 0.08 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 2pwv n ARG 274 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pwv n GLY 275 N 1.21 0.97 3.81 -0.13 0.00 -0.28 -4.78 105.19 106.00 2pwv n GLY 275 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2pwv n GLY 275 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pwv s ILE 276 N -2.00 4.56 -0.02 -0.61 -1.09 -0.86 -4.66 121.20 116.52 2pwv s ILE 276 Ca 0.00 1.30 0.04 0.00 -2.23 0.00 0.00 60.65 59.76 2pwv s ILE 276 Cb 0.00 -3.86 -0.06 0.00 -1.58 0.00 0.00 42.46 36.96 2pwv s ILE 276 CO 0.00 0.20 0.09 0.47 -1.23 0.00 0.00 174.94 174.48 2pwv n ASP 277 N 0.72 3.74 -3.85 3.58 8.00 0.12 -4.40 116.55 124.47 2pwv n ASP 277 Ca -0.02 -0.05 -0.12 0.00 0.71 0.00 0.00 54.79 55.31 2pwv n ASP 277 Cb 0.51 1.17 -0.11 0.00 -0.02 0.00 0.00 41.12 42.66 2pwv n ASP 277 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2pwv s MET 278 N -2.20 0.32 -0.00 -1.24 -1.94 -0.62 -1.23 119.30 112.39 2pwv s MET 278 Ca -0.01 -0.07 -0.02 0.00 -1.71 0.00 0.00 55.69 53.88 2pwv s MET 278 Cb 0.03 0.14 -0.01 0.00 2.01 0.00 0.00 34.83 37.00 2pwv s MET 278 CO 0.17 -0.06 0.04 -0.06 -0.01 0.00 0.00 175.02 175.09 2pwv s PHE 279 N -0.59 0.09 0.03 -0.03 0.40 -0.47 -1.43 117.98 115.98 2pwv s PHE 279 Ca -0.07 -0.17 -0.02 0.00 -0.60 0.00 0.00 56.93 56.07 2pwv s PHE 279 Cb -0.04 -0.08 -0.03 0.00 0.51 0.00 0.00 43.02 43.39 2pwv s PHE 279 CO 0.01 -0.15 -0.00 0.16 0.70 0.00 0.00 175.22 175.94 2pwv s ASP 280 N -0.86 0.31 -0.21 1.36 -4.77 -1.21 -0.49 116.67 110.81 2pwv s ASP 280 Ca -0.09 -0.68 -0.32 0.00 -3.30 0.00 0.00 52.55 48.16 2pwv s ASP 280 Cb -0.06 0.16 0.15 0.00 -1.09 0.00 0.00 42.92 42.09 2pwv s ASP 280 CO -0.00 -0.45 1.20 0.00 0.70 0.00 0.00 175.17 176.62 2pwv n VAL 282 N 0.29 0.00 -0.07 0.00 0.24 -1.26 -4.41 118.33 113.12 2pwv n VAL 282 Ca -0.02 -0.16 -0.07 0.00 -2.04 0.00 0.00 64.34 62.04 2pwv n VAL 282 Cb 0.58 0.20 -0.01 0.00 -1.47 0.00 0.00 33.84 33.15 2pwv n VAL 282 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2pwv h LEU 283 N 1.55 -0.53 -0.66 1.34 5.85 -1.96 -0.18 115.31 120.73 2pwv h LEU 283 Ca 0.00 0.12 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 2pwv h LEU 283 Cb 0.37 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2pwv h LEU 283 CO 0.00 -0.20 -0.53 1.55 -0.34 0.00 0.00 178.44 178.92 2pwv h PRO 284 N -0.13 0.37 0.27 5.25 0.13 -1.93 -0.05 132.00 135.92 2pwv h PRO 284 Ca 0.15 -0.23 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 2pwv h PRO 284 Cb 0.36 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.51 2pwv h PRO 284 CO -0.36 0.81 -0.13 1.79 -0.23 0.00 0.00 178.00 179.88 2pwv h THR 285 N 0.29 0.11 0.30 1.56 1.35 -1.83 -2.37 112.91 112.31 2pwv h THR 285 Ca 0.01 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 2pwv h THR 285 Cb 1.03 0.19 -0.03 0.00 -1.73 0.00 0.00 68.15 67.61 2pwv h THR 285 CO 0.09 0.03 -0.40 -0.09 -0.25 0.00 0.00 175.52 174.90 2pwv h ARG 286 N -1.08 -0.73 0.00 4.72 2.43 -1.10 -0.68 114.38 117.95 2pwv h ARG 286 Ca -0.04 0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 2pwv h ARG 286 Cb 0.33 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2pwv h ARG 286 CO 0.06 -0.49 -0.23 0.66 -1.51 0.00 0.00 179.97 178.46 2pwv h SER 287 N -0.76 0.00 -0.27 -3.80 4.64 -1.15 -2.23 113.55 109.99 2pwv h SER 287 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2pwv h SER 287 Cb 0.71 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 2pwv h SER 287 CO -0.13 0.23 0.14 1.23 -0.87 0.00 0.00 176.83 177.44 2pwv h GLY 288 N 1.44 0.41 2.00 -0.77 0.00 -0.85 -0.82 103.07 104.48 2pwv h GLY 288 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2pwv h GLY 288 CO 0.03 0.18 0.00 0.54 0.00 0.00 0.00 176.54 177.29 2pwv n ARG 289 N -4.82 0.18 -0.10 4.80 1.74 -0.32 -1.74 116.66 116.40 2pwv n ARG 289 Ca -0.02 0.46 0.11 0.00 -0.77 0.00 0.00 57.85 57.63 2pwv n ARG 289 Cb 0.09 -1.88 0.31 0.00 -1.02 0.00 0.00 32.46 29.96 2pwv n ARG 289 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2pwv n ASN 290 N -2.22 2.39 0.00 0.55 3.02 -0.77 -4.90 115.26 113.33 2pwv n ASN 290 Ca 0.01 -1.82 0.00 0.00 -0.03 0.00 0.00 54.58 52.75 2pwv n ASN 290 Cb 0.19 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 2pwv n ASN 290 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pwv n GLY 291 N 1.28 0.53 3.64 7.41 0.00 -0.71 -4.94 105.19 112.41 2pwv n GLY 291 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2pwv n GLY 291 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pwv s GLN 292 N -0.66 4.15 -0.11 1.61 0.74 -0.38 0.07 119.66 125.08 2pwv s GLN 292 Ca 0.00 0.75 -0.00 0.00 0.05 0.00 0.00 55.36 56.16 2pwv s GLN 292 Cb 0.00 -3.64 -0.02 0.00 1.10 0.00 0.00 33.01 30.44 2pwv s GLN 292 CO 0.00 -0.45 -0.10 0.00 -0.55 0.00 0.00 175.29 174.19 2pwv s ALA 293 N 2.63 2.79 0.13 1.58 0.00 0.01 -3.73 121.76 125.17 2pwv s ALA 293 Ca 0.31 -0.89 -0.24 0.00 0.00 0.00 0.00 51.96 51.14 2pwv s ALA 293 Cb -0.15 -1.25 -0.07 0.00 0.00 0.00 0.00 23.12 21.64 2pwv s ALA 293 CO 0.08 0.37 0.74 -0.06 0.00 0.00 0.00 175.76 176.89 2pwv s PHE 294 N -0.10 3.86 0.06 0.00 0.08 -1.26 -0.51 117.98 120.11 2pwv s PHE 294 Ca -0.00 1.54 0.01 0.00 0.12 0.00 0.00 56.93 58.60 2pwv s PHE 294 Cb -0.13 -2.73 -0.03 0.00 -0.57 0.00 0.00 43.02 39.55 2pwv s PHE 294 CO 0.03 0.48 -0.06 0.95 -0.10 0.00 0.00 175.22 176.53 2pwv s THR 295 N -0.92 0.48 -0.08 0.64 -4.23 -1.08 -4.79 115.64 105.65 2pwv s THR 295 Ca 0.35 -1.56 0.29 0.00 -1.18 0.00 0.00 61.69 59.59 2pwv s THR 295 Cb -0.22 -1.19 0.31 0.00 1.34 0.00 0.00 72.50 72.74 2pwv s THR 295 CO 0.24 -0.73 1.88 -0.50 -0.54 0.00 0.00 174.62 174.97 2pwv h TRP 296 N 3.61 0.00 -0.46 3.99 4.06 -1.96 0.23 115.95 125.41 2pwv h TRP 296 Ca -0.35 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.60 2pwv h TRP 296 Cb 1.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 2pwv h TRP 296 CO 0.60 0.00 0.00 -0.25 -3.56 0.00 0.00 178.44 175.23 2pwv n ASP 297 N -2.60 3.52 0.00 -3.49 8.00 -1.26 -2.91 116.55 117.80 2pwv n ASP 297 Ca 0.00 -2.32 0.00 0.00 0.71 0.00 0.00 54.79 53.18 2pwv n ASP 297 Cb 0.18 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 2pwv n ASP 297 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pwv n GLY 298 N 0.88 0.71 3.79 0.44 0.00 0.80 -4.77 105.19 107.05 2pwv n GLY 298 Ca 0.18 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 2pwv n GLY 298 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pwv s PRO 299 N -1.55 4.08 0.10 1.61 0.04 -1.26 -2.65 135.00 135.38 2pwv s PRO 299 Ca 0.00 1.48 0.09 0.00 0.04 0.00 0.00 61.00 62.60 2pwv s PRO 299 Cb 0.00 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 2pwv s PRO 299 CO 0.00 -0.21 -0.22 0.96 0.04 0.00 0.00 177.00 177.58 2pwv s ILE 300 N -1.73 1.80 -0.45 0.56 -4.36 0.33 -4.95 121.20 112.39 2pwv s ILE 300 Ca 0.60 -1.56 -0.14 0.00 -0.26 0.00 0.00 60.65 59.29 2pwv s ILE 300 Cb -0.21 -1.62 0.07 0.00 1.25 0.00 0.00 42.46 41.95 2pwv s ILE 300 CO 0.26 -0.02 0.35 0.21 0.24 0.00 0.00 174.94 175.98 2pwv s ASN 301 N -1.90 6.02 0.45 4.36 3.84 -1.26 -0.81 114.94 125.63 2pwv s ASN 301 Ca 0.08 -1.33 0.31 0.00 0.21 0.00 0.00 52.86 52.12 2pwv s ASN 301 Cb -0.10 -2.13 1.42 0.00 -0.55 0.00 0.00 41.25 39.89 2pwv s ASN 301 CO 0.04 -0.60 1.92 -0.29 -2.79 0.00 0.00 177.10 175.38 2pwv h ILE 302 N 5.82 0.00 0.00 -5.21 6.09 -0.74 -0.54 117.51 122.93 2pwv h ILE 302 Ca -0.27 -0.24 0.00 0.00 -1.37 0.00 0.00 64.86 62.98 2pwv h ILE 302 Cb 1.10 1.07 0.00 0.00 0.47 0.00 0.00 36.82 39.47 2pwv h ILE 302 CO 0.84 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 176.46 2pwv n ARG 303 N -2.69 0.12 -2.16 2.19 1.74 -1.26 -4.52 116.66 110.08 2pwv n ARG 303 Ca 0.00 0.44 -0.39 0.00 -0.77 0.00 0.00 57.85 57.13 2pwv n ARG 303 Cb 0.19 -1.77 -0.01 0.00 -1.02 0.00 0.00 32.46 29.84 2pwv n ARG 303 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2pwv s ASN 304 N -3.81 6.51 0.56 0.55 3.84 -0.21 -4.89 114.94 117.49 2pwv s ASN 304 Ca 0.03 2.54 0.25 0.00 0.21 0.00 0.00 52.86 55.89 2pwv s ASN 304 Cb 0.08 -2.63 1.60 0.00 -0.55 0.00 0.00 41.25 39.75 2pwv s ASN 304 CO 0.28 -0.70 2.21 0.00 -2.79 0.00 0.00 177.10 176.10 2pwv h ALA 305 N 2.86 1.68 0.00 1.71 0.00 -1.89 -1.22 119.26 122.39 2pwv h ALA 305 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2pwv h ALA 305 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2pwv h ALA 305 CO 0.63 0.01 0.04 2.89 0.00 0.00 0.00 179.25 182.83 2pwv n ARG 306 N -4.09 0.01 0.00 0.00 1.85 -1.26 -1.90 116.66 111.27 2pwv n ARG 306 Ca -0.03 0.47 0.08 0.00 -1.00 0.00 0.00 57.85 57.38 2pwv n ARG 306 Cb 0.09 -1.58 0.05 0.00 -1.05 0.00 0.00 32.46 29.97 2pwv n ARG 306 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2pwv n PHE 307 N -1.53 0.00 0.20 2.89 3.72 -0.46 -4.64 117.46 117.64 2pwv n PHE 307 Ca -0.00 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.57 2pwv n PHE 307 Cb 0.05 0.00 0.81 0.00 -0.94 0.00 0.00 39.48 39.40 2pwv n PHE 307 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2pwv h SER 308 N 2.86 0.00 0.00 4.37 4.64 -1.55 -1.48 113.55 122.40 2pwv h SER 308 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2pwv h SER 308 Cb 0.66 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.62 2pwv h SER 308 CO 0.00 0.00 -0.57 -0.62 -0.87 0.00 0.00 176.83 174.77 2pwv n GLU 309 N -3.86 0.65 -2.83 4.77 1.02 -1.26 -4.71 120.64 114.42 2pwv n GLU 309 Ca 0.02 -2.21 -0.43 0.00 -0.02 0.00 0.00 57.16 54.52 2pwv n GLU 309 Cb 0.33 -0.82 -0.04 0.00 -0.02 0.00 0.00 31.44 30.89 2pwv n GLU 309 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2pwv s ASP 310 N -2.25 6.48 0.00 1.62 -1.08 -0.56 -4.89 116.67 115.99 2pwv s ASP 310 Ca 0.27 0.05 0.30 0.00 -0.52 0.00 0.00 52.55 52.65 2pwv s ASP 310 Cb 0.27 -2.45 1.42 0.00 -1.46 0.00 0.00 42.92 40.70 2pwv s ASP 310 CO -0.07 -1.06 1.96 0.18 0.52 0.00 0.00 175.17 176.70 2pwv n LEU 311 N 7.18 0.52 -4.80 -1.34 4.77 -1.26 -0.80 117.00 121.27 2pwv n LEU 311 Ca 0.05 -0.09 -0.33 0.00 -0.03 0.00 0.00 56.01 55.61 2pwv n LEU 311 Cb 0.48 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2pwv n LEU 311 CO 0.64 0.09 0.71 -0.54 -1.33 0.00 0.00 177.39 176.96 2pwv s LYS 312 N -2.23 3.48 1.08 3.23 1.02 -1.26 -4.62 119.74 120.43 2pwv s LYS 312 Ca 0.37 1.22 -0.12 0.00 0.02 0.00 0.00 55.97 57.45 2pwv s LYS 312 Cb 0.21 -2.05 0.23 0.00 -0.52 0.00 0.00 37.83 35.70 2pwv s LYS 312 CO 0.41 -0.68 1.06 -1.25 -0.92 0.00 0.00 175.35 173.97 2pwv s PRO 313 N -3.89 -0.22 0.25 -1.68 0.04 -1.26 -1.12 135.00 127.12 2pwv s PRO 313 Ca 0.64 0.88 -0.03 0.00 0.04 0.00 0.00 61.00 62.53 2pwv s PRO 313 Cb -0.16 -1.63 0.46 0.00 0.04 0.00 0.00 34.50 33.21 2pwv s PRO 313 CO 0.33 -3.26 1.79 -0.07 0.04 0.00 0.00 177.00 175.82 2pwv h LEU 314 N -2.29 0.60 -7.85 -3.56 3.38 -1.89 -3.42 115.31 100.27 2pwv h LEU 314 Ca -0.57 0.07 -0.26 0.00 0.09 0.00 0.00 57.88 57.21 2pwv h LEU 314 Cb 1.32 -0.04 -0.27 0.00 0.09 0.00 0.00 40.66 41.76 2pwv h LEU 314 CO 0.51 0.30 -0.73 -0.62 0.09 0.00 0.00 178.44 177.99 2pwv s ASP 315 N -5.52 0.32 0.53 -0.43 -1.08 -1.26 -4.85 116.67 104.39 2pwv s ASP 315 Ca -0.12 -0.12 0.22 0.00 -0.52 0.00 0.00 52.55 52.02 2pwv s ASP 315 Cb 0.20 -0.02 1.46 0.00 -1.46 0.00 0.00 42.92 43.11 2pwv s ASP 315 CO 0.78 -0.01 2.15 0.77 0.52 0.00 0.00 175.17 179.38 2pwv h SER 316 N 5.86 0.00 0.00 -0.34 4.64 -1.99 -3.11 113.55 118.61 2pwv h SER 316 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2pwv h SER 316 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2pwv h SER 316 CO 0.49 0.05 -0.18 -0.62 -0.87 0.00 0.00 176.83 175.70 2pwv n GLU 317 N -4.11 5.35 -1.62 4.77 1.02 -1.26 -5.05 120.64 119.74 2pwv n GLU 317 Ca -0.03 0.00 -0.48 0.00 -0.02 0.00 0.00 57.16 56.64 2pwv n GLU 317 Cb 0.14 -0.57 -0.04 0.00 -0.02 0.00 0.00 31.44 30.95 2pwv n GLU 317 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pwv n HIS 319 N 1.96 0.65 -1.49 0.00 8.25 -1.26 -4.72 115.22 118.60 2pwv n HIS 319 Ca 0.15 -0.33 -0.32 0.00 -0.26 0.00 0.00 57.72 56.96 2pwv n HIS 319 Cb 0.26 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.44 2pwv n HIS 319 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pwv h ALA 321 N -0.66 1.54 0.14 0.00 0.00 -1.95 -0.11 119.26 118.23 2pwv h ALA 321 Ca -0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2pwv h ALA 321 Cb 1.23 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2pwv h ALA 321 CO 0.53 0.32 -0.07 0.28 0.00 0.00 0.00 179.25 180.32 2pwv h VAL 322 N 0.99 0.91 0.00 0.00 2.07 -1.92 -1.70 116.25 116.60 2pwv h VAL 322 Ca 0.38 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.71 2pwv h VAL 322 Cb 0.22 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2pwv h VAL 322 CO -0.14 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.49 2pwv h GLN 324 N 0.00 0.14 0.00 0.00 -0.00 -0.16 -3.41 115.11 111.67 2pwv h GLN 324 Ca 0.00 -0.14 -0.13 0.00 -0.00 0.00 0.00 58.65 58.38 2pwv h GLN 324 Cb 0.38 0.04 -0.02 0.00 -0.00 0.00 0.00 27.48 27.88 2pwv h GLN 324 CO 0.00 0.88 -1.47 1.63 -0.00 0.00 0.00 178.83 179.87 2pwv n LYS 325 N -3.66 1.30 -4.38 0.06 5.02 -0.81 -5.07 118.16 110.61 2pwv n LYS 325 Ca -0.03 0.03 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 2pwv n LYS 325 Cb 0.78 -1.17 -0.10 0.00 -0.02 0.00 0.00 35.03 34.51 2pwv n LYS 325 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2pwv s TRP 326 N -2.17 1.92 0.31 2.13 0.51 -0.11 -5.10 118.94 116.43 2pwv s TRP 326 Ca -0.08 -0.47 0.04 0.00 -2.12 0.00 0.00 56.10 53.46 2pwv s TRP 326 Cb 0.03 -0.89 -0.02 0.00 -0.81 0.00 0.00 33.47 31.77 2pwv s TRP 326 CO 0.23 0.46 0.46 -1.54 -0.51 0.00 0.00 176.95 176.05 2pwv s SER 327 N -3.19 6.19 0.27 2.95 1.04 -1.26 -4.48 113.70 115.23 2pwv s SER 327 Ca 0.23 0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.80 2pwv s SER 327 Cb -0.03 -1.74 0.62 0.00 0.10 0.00 0.00 66.02 64.97 2pwv s SER 327 CO 0.09 -0.27 1.72 0.03 0.98 0.00 0.00 173.24 175.79 2pwv h ARG 328 N 0.92 0.45 -0.69 4.02 3.08 -1.09 -1.22 114.38 119.85 2pwv h ARG 328 Ca -0.49 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.46 2pwv h ARG 328 Cb 1.24 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.16 2pwv h ARG 328 CO 0.59 0.29 0.16 0.00 -1.07 0.00 0.00 179.97 179.95 2pwv h ALA 329 N 1.64 0.91 -0.24 0.04 0.00 -0.99 0.47 119.26 121.09 2pwv h ALA 329 Ca 0.51 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2pwv h ALA 329 Cb 0.87 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2pwv h ALA 329 CO -0.47 0.64 0.05 -0.92 0.00 0.00 0.00 179.25 178.55 2pwv h TYR 330 N 1.04 0.41 -0.07 0.00 3.20 -1.71 -1.06 116.97 118.78 2pwv h TYR 330 Ca 0.22 -0.05 -0.13 0.00 3.14 0.00 0.00 58.73 61.91 2pwv h TYR 330 Cb 0.38 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 2pwv h TYR 330 CO 0.03 0.50 -0.53 0.82 -1.64 0.00 0.00 178.16 177.33 2pwv h ILE 331 N 0.21 1.36 -0.06 1.81 2.04 -0.77 -0.95 117.51 121.15 2pwv h ILE 331 Ca 0.07 -1.82 0.03 0.00 1.00 0.00 0.00 64.86 64.15 2pwv h ILE 331 Cb 0.30 1.90 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 2pwv h ILE 331 CO 0.00 0.53 -0.18 -0.74 0.00 0.00 0.00 178.15 177.77 2pwv h HIS 332 N 0.16 -0.46 -0.12 1.37 2.76 0.07 -0.52 115.15 118.40 2pwv h HIS 332 Ca 0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2pwv h HIS 332 Cb 0.99 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 30.16 2pwv h HIS 332 CO 0.02 -0.25 0.08 1.25 -1.30 0.00 0.00 177.93 177.72 2pwv h HIS 333 N -0.26 0.16 -0.71 5.26 -0.00 -0.20 -1.10 115.15 118.30 2pwv h HIS 333 Ca 0.07 0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.52 2pwv h HIS 333 Cb 0.36 -0.05 -0.06 0.00 -0.00 0.00 0.00 27.41 27.66 2pwv h HIS 333 CO -0.25 0.11 0.39 -0.07 -0.00 0.00 0.00 177.93 178.10 2pwv h LEU 334 N 0.16 0.55 -0.31 0.26 3.38 -1.09 -0.36 115.31 117.90 2pwv h LEU 334 Ca 0.05 0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 2pwv h LEU 334 Cb -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2pwv h LEU 334 CO -0.01 0.34 -0.62 0.40 0.09 0.00 0.00 178.44 178.64 2pwv h ILE 335 N 0.69 1.29 0.00 1.22 1.08 -0.86 0.42 117.51 121.35 2pwv h ILE 335 Ca 0.33 -1.83 -0.03 0.00 -0.39 0.00 0.00 64.86 62.94 2pwv h ILE 335 Cb 0.26 1.77 -0.00 0.00 -3.07 0.00 0.00 36.82 35.78 2pwv h ILE 335 CO -0.22 0.58 -0.12 0.03 -0.69 0.00 0.00 178.15 177.74 2pwv h ARG 336 N 0.57 0.00 -0.05 2.37 3.08 -0.83 -0.87 114.38 118.66 2pwv h ARG 336 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2pwv h ARG 336 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2pwv h ARG 336 CO 0.13 0.12 0.00 0.00 -1.07 0.00 0.00 179.97 179.15 2pwv n ALA 337 N -2.52 2.59 -2.93 0.04 0.00 -0.18 -4.91 120.51 112.61 2pwv n ALA 337 Ca -0.03 -0.38 -0.22 0.00 0.00 0.00 0.00 53.44 52.81 2pwv n ALA 337 Cb 0.19 -1.23 0.03 0.00 0.00 0.00 0.00 19.45 18.44 2pwv n ALA 337 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pwv n GLY 338 N 1.09 -0.52 3.76 0.00 0.00 -0.33 -4.96 105.19 104.23 2pwv n GLY 338 Ca 0.19 0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.93 2pwv n GLY 338 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pwv s GLU 339 N -5.61 4.64 0.25 1.61 0.41 0.08 -4.95 118.70 115.13 2pwv s GLU 339 Ca 0.26 1.25 -0.03 0.00 -0.41 0.00 0.00 54.97 56.04 2pwv s GLU 339 Cb -0.12 -3.28 0.39 0.00 -1.78 0.00 0.00 34.13 29.35 2pwv s GLU 339 CO 0.32 0.51 1.85 0.82 -0.49 0.00 0.00 175.26 178.27 2pwv h ILE 340 N 3.40 1.02 -0.59 -1.63 2.04 -1.93 0.14 117.51 119.96 2pwv h ILE 340 Ca -0.46 -0.35 0.13 0.00 1.00 0.00 0.00 64.86 65.19 2pwv h ILE 340 Cb 1.20 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2pwv h ILE 340 CO 0.67 0.18 0.41 0.25 0.00 0.00 0.00 178.15 179.67 2pwv h LEU 341 N 1.01 0.21 -0.38 1.44 5.85 -1.93 -1.29 115.31 120.21 2pwv h LEU 341 Ca 0.41 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.14 2pwv h LEU 341 Cb 0.24 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2pwv h LEU 341 CO -0.20 0.11 0.22 1.23 -0.34 0.00 0.00 178.44 179.47 2pwv h GLY 342 N 0.22 0.56 0.98 3.75 0.00 -1.22 -0.12 103.07 107.24 2pwv h GLY 342 Ca 0.28 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.38 2pwv h GLY 342 CO -0.05 0.23 0.27 0.00 0.00 0.00 0.00 176.54 176.99 2pwv h ALA 343 N 1.08 0.53 0.19 3.60 0.00 -1.27 -1.24 119.26 122.15 2pwv h ALA 343 Ca 0.13 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2pwv h ALA 343 Cb 0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2pwv h ALA 343 CO -0.02 -0.03 -0.34 0.52 0.00 0.00 0.00 179.25 179.37 2pwv h MET 344 N 0.55 -0.59 -0.42 0.00 2.07 -0.90 0.45 114.93 116.09 2pwv h MET 344 Ca 0.16 0.04 -0.14 0.00 -2.07 0.00 0.00 59.70 57.68 2pwv h MET 344 Cb -0.05 0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 29.81 2pwv h MET 344 CO -0.04 -0.39 -0.29 -0.07 1.07 0.00 0.00 176.91 177.18 2pwv h LEU 345 N -0.61 0.98 -0.44 1.22 3.38 -0.97 -0.95 115.31 117.92 2pwv h LEU 345 Ca 0.01 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.58 2pwv h LEU 345 Cb 0.61 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2pwv h LEU 345 CO -0.15 1.20 0.25 0.24 0.09 0.00 0.00 178.44 180.06 2pwv h MET 346 N 0.76 0.48 -0.24 1.13 2.86 -1.13 -1.70 114.93 117.09 2pwv h MET 346 Ca 0.08 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.58 2pwv h MET 346 Cb 0.87 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 2pwv h MET 346 CO 0.08 0.32 -0.35 1.15 1.06 0.00 0.00 176.91 179.16 2pwv h THR 347 N 0.49 1.29 -0.34 2.22 2.02 -0.70 -1.31 112.91 116.58 2pwv h THR 347 Ca 0.18 -1.47 -0.08 0.00 0.77 0.00 0.00 66.41 65.82 2pwv h THR 347 Cb 0.05 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2pwv h THR 347 CO -0.10 0.46 -0.08 -0.08 0.37 0.00 0.00 175.52 176.09 2pwv h GLU 348 N 0.44 0.66 -0.01 6.66 4.81 -1.01 -2.16 114.58 123.98 2pwv h GLU 348 Ca 0.05 -0.25 0.01 0.00 -0.13 0.00 0.00 59.36 59.03 2pwv h GLU 348 Cb 0.82 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 2pwv h GLU 348 CO 0.07 0.82 -0.02 1.25 -0.73 0.00 0.00 179.01 180.40 2pwv h HIS 349 N 0.45 -0.05 -0.55 0.92 2.76 -1.17 -1.08 115.15 116.44 2pwv h HIS 349 Ca 0.09 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.22 2pwv h HIS 349 Cb 0.58 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.54 2pwv h HIS 349 CO 0.05 -0.03 0.17 -0.91 -1.30 0.00 0.00 177.93 175.91 2pwv h ASN 350 N -0.03 0.79 -0.12 3.26 2.35 -1.17 0.26 115.58 120.92 2pwv h ASN 350 Ca 0.01 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.48 2pwv h ASN 350 Cb 0.05 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 2pwv h ASN 350 CO -0.03 0.79 -0.14 0.40 -1.65 0.00 0.00 177.43 176.81 2pwv h ILE 351 N 0.76 1.23 -0.34 2.81 1.08 -1.42 -1.47 117.51 120.16 2pwv h ILE 351 Ca 0.18 -1.03 -0.08 0.00 -0.39 0.00 0.00 64.86 63.54 2pwv h ILE 351 Cb 0.28 1.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 2pwv h ILE 351 CO -0.01 0.33 -0.11 0.00 -0.69 0.00 0.00 178.15 177.68 2pwv h ALA 352 N 1.42 0.47 -0.09 1.87 0.00 -0.15 -1.84 119.26 120.93 2pwv h ALA 352 Ca 0.08 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.72 2pwv h ALA 352 Cb 0.50 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2pwv h ALA 352 CO 0.03 0.33 -0.26 0.35 0.00 0.00 0.00 179.25 179.71 2pwv h PHE 353 N 0.45 -0.69 -0.65 0.00 3.57 -0.29 -0.24 116.94 119.09 2pwv h PHE 353 Ca 0.08 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.72 2pwv h PHE 353 Cb 0.62 0.32 -0.08 0.00 2.79 0.00 0.00 35.95 39.60 2pwv h PHE 353 CO 0.05 -0.34 0.23 1.88 -2.23 0.00 0.00 178.31 177.91 2pwv h TYR 354 N -0.35 0.40 -0.50 0.41 -1.99 -1.17 -0.23 116.97 113.55 2pwv h TYR 354 Ca 0.09 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.79 2pwv h TYR 354 Cb 0.48 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 39.10 2pwv h TYR 354 CO -0.33 0.07 0.07 1.96 -0.00 0.00 0.00 178.16 179.93 2pwv h GLN 355 N 0.40 0.78 -0.20 4.88 1.08 -0.89 -1.09 115.11 120.06 2pwv h GLN 355 Ca 0.34 -0.17 -0.15 0.00 -1.45 0.00 0.00 58.65 57.22 2pwv h GLN 355 Cb 0.46 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 2pwv h GLN 355 CO -0.35 0.74 -0.50 1.96 -0.95 0.00 0.00 178.83 179.73 2pwv h GLN 356 N 0.74 0.55 -0.54 1.46 4.20 -0.17 -0.63 115.11 120.72 2pwv h GLN 356 Ca 0.16 -0.32 0.02 0.00 0.06 0.00 0.00 58.65 58.57 2pwv h GLN 356 Cb 0.35 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 2pwv h GLN 356 CO 0.01 0.92 0.33 1.25 -0.67 0.00 0.00 178.83 180.67 2pwv h LEU 357 N 0.43 0.54 -0.84 1.46 5.85 -0.79 -1.04 115.31 120.92 2pwv h LEU 357 Ca 0.02 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2pwv h LEU 357 Cb 1.03 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 2pwv h LEU 357 CO 0.09 0.38 0.32 0.24 -0.34 0.00 0.00 178.44 179.14 2pwv h MET 358 N 0.65 1.18 -0.53 1.25 2.86 -0.70 -1.25 114.93 118.40 2pwv h MET 358 Ca 0.21 -0.21 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 2pwv h MET 358 Cb 0.01 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.45 2pwv h MET 358 CO -0.09 0.95 -0.03 0.37 1.06 0.00 0.00 176.91 179.17 2pwv h GLN 359 N 1.15 0.92 -0.32 1.72 5.75 -0.80 -1.63 115.11 121.90 2pwv h GLN 359 Ca 0.27 -0.28 -0.10 0.00 -0.15 0.00 0.00 58.65 58.39 2pwv h GLN 359 Cb 0.20 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 2pwv h GLN 359 CO -0.02 0.93 -0.22 0.87 -2.65 0.00 0.00 178.83 177.74 2pwv h LYS 360 N 0.84 0.61 -0.28 1.69 1.57 -0.76 -0.20 116.57 120.04 2pwv h LYS 360 Ca 0.15 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2pwv h LYS 360 Cb 0.54 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2pwv h LYS 360 CO 0.03 0.78 0.05 0.82 -0.57 0.00 0.00 179.45 180.57 2pwv h ILE 361 N 0.54 1.22 0.11 1.86 2.04 -0.92 -1.09 117.51 121.28 2pwv h ILE 361 Ca 0.08 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 2pwv h ILE 361 Cb 0.67 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 2pwv h ILE 361 CO 0.05 0.24 -0.06 0.03 0.00 0.00 0.00 178.15 178.42 2pwv h ARG 362 N 0.27 -0.15 -0.51 2.37 3.08 -1.22 -1.13 114.38 117.09 2pwv h ARG 362 Ca 0.08 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 2pwv h ARG 362 Cb 0.31 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 2pwv h ARG 362 CO 0.00 -0.10 0.27 -0.44 -1.07 0.00 0.00 179.97 178.63 2pwv h ASP 363 N -0.16 0.65 -0.49 7.04 3.32 -1.05 -0.67 116.42 125.05 2pwv h ASP 363 Ca -0.01 -0.10 -0.13 0.00 0.02 0.00 0.00 57.03 56.80 2pwv h ASP 363 Cb 0.12 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2pwv h ASP 363 CO 0.02 0.57 -0.20 0.77 -1.72 0.00 0.00 179.24 178.68 2pwv h SER 364 N 0.68 1.03 -0.45 6.45 4.64 -1.06 -2.06 113.55 122.78 2pwv h SER 364 Ca 0.18 -0.39 -0.04 0.00 -0.47 0.00 0.00 61.79 61.07 2pwv h SER 364 Cb 0.07 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 2pwv h SER 364 CO -0.03 1.19 0.12 0.40 -0.87 0.00 0.00 176.83 177.65 2pwv h ILE 365 N 0.87 1.23 -0.07 0.95 2.04 -1.13 -0.98 117.51 120.42 2pwv h ILE 365 Ca 0.11 -0.78 0.02 0.00 1.00 0.00 0.00 64.86 65.21 2pwv h ILE 365 Cb 0.78 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2pwv h ILE 365 CO 0.07 0.28 0.10 0.28 0.00 0.00 0.00 178.15 178.87 2pwv h SER 366 N 0.59 0.00 -0.49 1.72 0.02 -0.75 -1.42 113.55 113.22 2pwv h SER 366 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2pwv h SER 366 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2pwv h SER 366 CO -0.00 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.07 2pwv n GLU 367 N -3.63 2.66 -3.29 3.45 1.02 -0.81 -4.98 120.64 115.05 2pwv n GLU 367 Ca -0.01 -2.28 -0.22 0.00 -0.02 0.00 0.00 57.16 54.63 2pwv n GLU 367 Cb 0.19 -1.41 0.06 0.00 -0.02 0.00 0.00 31.44 30.26 2pwv n GLU 367 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pwv n GLY 368 N 1.08 -0.48 0.69 0.62 0.00 -0.53 -4.90 105.19 101.67 2pwv n GLY 368 Ca 0.17 0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.38 2pwv n GLY 368 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2pwv n ARG 369 N -4.40 0.24 -0.05 1.61 1.85 -0.41 -4.88 116.66 110.63 2pwv n ARG 369 Ca -0.04 -1.56 -0.05 0.00 -1.00 0.00 0.00 57.85 55.19 2pwv n ARG 369 Cb 0.58 -0.57 0.15 0.00 -1.05 0.00 0.00 32.46 31.57 2pwv n ARG 369 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 2pwv h PHE 370 N 0.29 0.74 -0.54 2.89 3.57 -1.80 -0.91 116.94 121.18 2pwv h PHE 370 Ca -0.05 -0.15 -0.08 0.00 3.53 0.00 0.00 57.97 61.22 2pwv h PHE 370 Cb 1.45 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 2pwv h PHE 370 CO 0.14 0.81 0.03 0.66 -2.23 0.00 0.00 178.31 177.72 2pwv h SER 371 N 0.60 0.87 -0.47 0.41 4.64 -1.91 0.41 113.55 118.11 2pwv h SER 371 Ca 0.09 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 2pwv h SER 371 Cb 0.65 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 2pwv h SER 371 CO 0.05 0.91 0.12 -0.61 -0.87 0.00 0.00 176.83 176.43 2pwv h GLN 372 N 0.84 0.74 -0.33 4.77 5.75 -1.90 -2.34 115.11 122.65 2pwv h GLN 372 Ca 0.16 -0.17 0.02 0.00 -0.15 0.00 0.00 58.65 58.51 2pwv h GLN 372 Cb 0.45 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 2pwv h GLN 372 CO 0.02 0.72 0.17 0.35 -2.65 0.00 0.00 178.83 177.44 2pwv h PHE 373 N 0.62 0.32 -0.57 3.99 3.57 -0.29 -0.87 116.94 123.72 2pwv h PHE 373 Ca 0.15 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 2pwv h PHE 373 Cb 0.30 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 2pwv h PHE 373 CO 0.02 0.18 0.22 0.00 -2.23 0.00 0.00 178.31 176.50 2pwv h ALA 374 N 1.16 1.32 -0.03 2.41 0.00 -0.09 0.97 119.26 125.01 2pwv h ALA 374 Ca 0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pwv h ALA 374 Cb 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2pwv h ALA 374 CO -0.08 0.50 0.00 0.37 0.00 0.00 0.00 179.25 180.04 2pwv h GLN 375 N 0.81 0.05 -0.71 0.00 4.15 -1.12 -2.39 115.11 115.90 2pwv h GLN 375 Ca 0.19 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.60 2pwv h GLN 375 Cb 0.17 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 2pwv h GLN 375 CO -0.02 0.32 0.46 -0.44 -1.93 0.00 0.00 178.83 177.22 2pwv h ASP 376 N -0.24 0.83 -0.26 -0.69 3.32 -0.94 -2.04 116.42 116.41 2pwv h ASP 376 Ca 0.01 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.05 2pwv h ASP 376 Cb 0.30 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2pwv h ASP 376 CO 0.00 0.62 0.08 0.15 -1.72 0.00 0.00 179.24 178.37 2pwv h PHE 377 N 0.97 0.14 -0.36 4.55 3.57 -0.76 -2.50 116.94 122.54 2pwv h PHE 377 Ca 0.26 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 2pwv h PHE 377 Cb -0.08 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 2pwv h PHE 377 CO -0.02 0.06 0.16 0.00 -2.23 0.00 0.00 178.31 176.28 2pwv h ARG 378 N 0.19 0.53 -1.00 1.11 3.08 -1.27 0.42 114.38 117.45 2pwv h ARG 378 Ca 0.11 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.08 2pwv h ARG 378 Cb 0.09 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 2pwv h ARG 378 CO -0.12 0.50 0.66 0.00 -1.07 0.00 0.00 179.97 179.93 2pwv h ALA 379 N 1.01 1.28 0.01 0.04 0.00 -1.17 -0.36 119.26 120.07 2pwv h ALA 379 Ca 0.12 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2pwv h ALA 379 Cb 0.15 -0.41 0.01 0.00 0.00 0.00 0.00 17.79 17.54 2pwv h ALA 379 CO -0.01 0.67 -0.29 -0.09 0.00 0.00 0.00 179.25 179.52 2pwv h ARG 380 N 1.36 0.19 -0.31 0.00 2.43 -1.29 -2.14 114.38 114.61 2pwv h ARG 380 Ca 0.37 -0.21 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 2pwv h ARG 380 Cb -0.15 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2pwv h ARG 380 CO -0.08 0.96 0.21 -0.92 -1.51 0.00 0.00 179.97 178.63 2pwv h TYR 381 N -0.50 0.38 -0.23 2.20 3.20 0.19 -0.75 116.97 121.46 2pwv h TYR 381 Ca -0.04 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2pwv h TYR 381 Cb 1.06 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.21 2pwv h TYR 381 CO 0.18 0.23 0.00 1.19 -1.64 0.00 0.00 178.16 178.13 2pwv n PHE 382 N -4.49 0.28 0.30 -3.82 3.72 -0.17 -3.40 117.46 109.86 2pwv n PHE 382 Ca 0.02 -0.15 0.02 0.00 -0.05 0.00 0.00 57.45 57.29 2pwv n PHE 382 Cb 0.08 -0.00 0.14 0.00 -0.94 0.00 0.00 39.48 38.76 2pwv n PHE 382 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71