#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i n ARG 3 N 0.00 -0.38 -3.29 -1.46 3.00 -1.26 -4.84 116.66 108.44 3i8i n ARG 3 Ca 0.00 0.30 -0.39 0.00 -0.00 0.00 0.00 57.85 57.76 3i8i n ARG 3 Cb 0.00 -0.42 -0.08 0.00 0.00 0.00 0.00 32.46 31.96 3i8i n ARG 3 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 3i8i s ILE 4 N -0.32 5.11 -0.66 5.15 -0.00 -1.26 -4.95 121.20 124.26 3i8i s ILE 4 Ca 0.08 0.80 -0.14 0.00 -0.00 0.00 0.00 60.65 61.39 3i8i s ILE 4 Cb -0.01 -3.79 -0.12 0.00 -0.00 0.00 0.00 42.46 38.54 3i8i s ILE 4 CO 0.17 0.13 1.86 0.61 -0.00 0.00 0.00 174.94 177.71 3i8i n GLY 5 N 4.35 2.49 0.36 6.27 0.00 -1.26 -2.51 105.19 114.89 3i8i n GLY 5 Ca -0.06 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.04 3i8i n GLY 5 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i8i n ARG 6 N 5.77 0.00 -0.29 1.61 1.85 -1.26 -4.78 116.66 119.56 3i8i n ARG 6 Ca 0.41 0.00 0.12 0.00 -1.00 0.00 0.00 57.85 57.38 3i8i n ARG 6 Cb 0.25 -0.56 0.28 0.00 -1.05 0.00 0.00 32.46 31.38 3i8i n ARG 6 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 3i8i n LEU 7 N -2.00 3.69 0.00 2.89 -0.00 -1.04 -4.49 117.00 116.04 3i8i n LEU 7 Ca 0.00 -1.74 0.00 0.00 -0.00 0.00 0.00 56.01 54.27 3i8i n LEU 7 Cb 0.16 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.20 3i8i n LEU 7 CO 0.00 0.87 0.00 -0.81 -0.00 0.00 0.00 177.39 177.45 3i8i n PRO 8 N 1.56 0.18 -5.09 1.47 -0.04 -1.26 -4.83 135.00 126.99 3i8i n PRO 8 Ca 0.22 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.38 3i8i n PRO 8 Cb 0.61 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.90 3i8i n PRO 8 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3i8i s ILE 9 N -0.44 1.87 0.00 0.52 -4.36 -1.26 -4.46 121.20 113.07 3i8i s ILE 9 Ca 0.00 -0.91 0.00 0.00 -0.26 0.00 0.00 60.65 59.48 3i8i s ILE 9 Cb 0.00 -1.62 0.00 0.00 1.25 0.00 0.00 42.46 42.09 3i8i s ILE 9 CO 0.00 0.52 0.00 -2.65 0.24 0.00 0.00 174.94 173.05 3i8i n PRO 10 N 3.57 1.04 -0.93 0.37 -0.02 -1.26 -4.92 135.00 132.86 3i8i n PRO 10 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 3i8i n PRO 10 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 3i8i n PRO 10 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3i8i n VAL 11 N 0.00 0.00 0.00 -1.45 0.24 -1.26 -4.71 118.33 111.15 3i8i n VAL 11 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i8i n VAL 11 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3i8i n VAL 11 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3i8i n PRO 12 N 0.00 0.00 -0.73 7.34 -0.04 -1.24 -4.62 135.00 135.72 3i8i n PRO 12 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3i8i n PRO 12 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3i8i n PRO 12 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3i8i n LYS 13 N 0.00 0.00 -2.30 0.54 4.76 -1.26 -4.73 118.16 115.17 3i8i n LYS 13 Ca 0.00 0.37 -0.12 0.00 -2.87 0.00 0.00 58.31 55.69 3i8i n LYS 13 Cb 0.00 -0.36 -0.01 0.00 -1.84 0.00 0.00 35.03 32.82 3i8i n LYS 13 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i8i n GLY 14 N 0.80 -0.29 3.02 0.72 0.00 -1.26 -4.94 105.19 103.23 3i8i n GLY 14 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3i8i n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i8i s VAL 15 N -2.51 0.66 0.00 1.61 -7.23 -1.26 -4.43 120.40 107.22 3i8i s VAL 15 Ca 0.00 -0.47 0.00 0.00 -1.81 0.00 0.00 61.98 59.70 3i8i s VAL 15 Cb 0.00 -0.57 0.00 0.00 0.56 0.00 0.00 36.38 36.37 3i8i s VAL 15 CO 0.00 0.10 0.00 -0.24 -0.31 0.00 0.00 175.10 174.65 3i8i n SER 16 N 2.65 0.00 0.00 4.85 2.88 -0.57 -5.02 113.62 118.42 3i8i n SER 16 Ca -0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 3i8i n SER 16 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 3i8i n SER 16 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3i8i n VAL 17 N 0.00 0.00 -5.07 2.46 0.31 -1.19 -4.96 118.33 109.89 3i8i n VAL 17 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 3i8i n VAL 17 Cb 0.00 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 32.76 3i8i n VAL 17 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3i8i s GLU 18 N -0.38 2.51 0.48 5.55 0.41 -0.26 -4.97 118.70 122.04 3i8i s GLU 18 Ca 0.00 -0.77 0.05 0.00 -0.41 0.00 0.00 54.97 53.85 3i8i s GLU 18 Cb 0.00 -2.00 0.02 0.00 -1.78 0.00 0.00 34.13 30.37 3i8i s GLU 18 CO 0.00 0.21 0.66 0.08 -0.49 0.00 0.00 175.26 175.73 3i8i s VAL 19 N 0.23 2.83 0.00 2.63 1.01 -1.26 -1.86 120.40 123.97 3i8i s VAL 19 Ca -0.12 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 60.99 3i8i s VAL 19 Cb -0.16 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.26 3i8i s VAL 19 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.16 3i8i n ALA 20 N -2.07 0.00 -0.82 5.51 0.00 -1.19 -4.96 120.51 116.98 3i8i n ALA 20 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3i8i n ALA 20 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3i8i n ALA 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i8i n PRO 21 N 0.00 0.00 0.00 0.00 -0.04 -1.26 -4.76 135.00 128.94 3i8i n PRO 21 Ca 0.00 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 3i8i n PRO 21 Cb 0.00 -0.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 3i8i n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i8i n GLY 22 N 0.67 0.00 3.84 0.55 0.00 -1.26 -4.49 105.19 104.51 3i8i n GLY 22 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3i8i n GLY 22 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i8i s ARG 23 N -1.68 3.45 -0.31 1.61 1.70 -1.26 0.21 118.95 122.66 3i8i s ARG 23 Ca 0.00 0.90 -0.00 0.00 -0.47 0.00 0.00 55.73 56.16 3i8i s ARG 23 Cb 0.00 -2.06 0.14 0.00 -0.57 0.00 0.00 34.95 32.46 3i8i s ARG 23 CO 0.00 -0.69 0.29 0.14 -1.08 0.00 0.00 175.30 173.96 3i8i s VAL 24 N -2.95 -0.32 0.33 4.99 -7.23 -1.08 -3.14 120.40 111.00 3i8i s VAL 24 Ca 0.58 -0.69 -0.29 0.00 -1.81 0.00 0.00 61.98 59.76 3i8i s VAL 24 Cb -0.12 -0.93 -0.11 0.00 0.56 0.00 0.00 36.38 35.77 3i8i s VAL 24 CO 0.48 -0.55 1.54 -0.54 -0.31 0.00 0.00 175.10 175.71 3i8i s LYS 25 N 2.07 4.13 -0.22 4.82 1.02 -0.78 -2.95 119.74 127.82 3i8i s LYS 25 Ca 0.11 2.56 -0.03 0.00 0.02 0.00 0.00 55.97 58.63 3i8i s LYS 25 Cb -0.15 -3.00 -0.13 0.00 -0.52 0.00 0.00 37.83 34.03 3i8i s LYS 25 CO -0.26 -0.58 -0.23 1.55 -0.92 0.00 0.00 175.35 174.92 3i8i n VAL 26 N 1.45 1.25 -1.91 3.17 3.14 0.11 -1.11 118.33 124.43 3i8i n VAL 26 Ca 0.05 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 61.01 3i8i n VAL 26 Cb 0.38 -1.46 0.00 0.00 -1.06 0.00 0.00 33.84 31.71 3i8i n VAL 26 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 3i8i n LYS 27 N -3.45 -0.18 -2.89 1.45 3.00 -1.26 -2.41 118.16 112.42 3i8i n LYS 27 Ca -0.41 0.13 -0.08 0.00 -0.00 0.00 0.00 58.31 57.96 3i8i n LYS 27 Cb 0.88 -0.64 -0.03 0.00 0.00 0.00 0.00 35.03 35.23 3i8i n LYS 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i8i n GLY 28 N 1.90 3.40 0.91 3.14 0.00 0.72 -1.51 105.19 113.74 3i8i n GLY 28 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3i8i n GLY 28 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i8i n PRO 29 N -0.27 0.91 0.00 1.61 -0.04 -1.19 -3.07 135.00 132.95 3i8i n PRO 29 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 3i8i n PRO 29 Cb 0.26 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 3i8i n PRO 29 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3i8i n LYS 30 N 0.45 0.92 -3.93 0.54 5.02 -0.99 -4.93 118.16 115.25 3i8i n LYS 30 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i8i n LYS 30 Cb 0.41 -0.08 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 3i8i n LYS 30 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i8i n GLY 31 N 0.00 -2.43 3.45 0.72 0.00 -1.17 -4.97 105.19 100.78 3i8i n GLY 31 Ca 0.00 -1.28 -0.27 0.00 0.00 0.00 0.00 46.02 44.47 3i8i n GLY 31 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i8i s GLU 32 N -1.96 1.62 0.02 1.61 4.04 -1.26 -0.20 118.70 122.57 3i8i s GLU 32 Ca 0.00 -1.43 -0.20 0.00 0.04 0.00 0.00 54.97 53.38 3i8i s GLU 32 Cb 0.00 -1.93 0.04 0.00 0.02 0.00 0.00 34.13 32.26 3i8i s GLU 32 CO 0.00 0.42 0.45 -0.51 -1.84 0.00 0.00 175.26 173.78 3i8i s LEU 33 N -2.59 0.23 -0.45 1.83 1.43 -1.26 -4.87 118.68 113.01 3i8i s LEU 33 Ca 0.20 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.50 3i8i s LEU 33 Cb -0.09 1.84 0.15 0.00 0.03 0.00 0.00 46.19 48.13 3i8i s LEU 33 CO 0.10 -0.62 0.30 -1.61 0.23 0.00 0.00 176.35 174.76 3i8i s GLU 34 N -2.03 1.20 -0.26 1.70 2.02 -1.26 0.08 118.70 120.15 3i8i s GLU 34 Ca -0.08 -2.11 -0.28 0.00 0.02 0.00 0.00 54.97 52.52 3i8i s GLU 34 Cb -0.02 -2.01 -0.04 0.00 0.10 0.00 0.00 34.13 32.16 3i8i s GLU 34 CO 0.01 -1.26 2.15 0.08 0.02 0.00 0.00 175.26 176.26 3i8i s VAL 35 N 0.12 3.10 -1.08 2.63 1.01 -1.15 -4.59 120.40 120.44 3i8i s VAL 35 Ca 0.24 0.10 -0.23 0.00 0.00 0.00 0.00 61.98 62.08 3i8i s VAL 35 Cb -0.12 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 3i8i s VAL 35 CO -0.09 -0.09 1.89 -2.16 0.00 0.00 0.00 175.10 174.65 3i8i s PRO 36 N 6.38 2.72 0.24 2.72 0.04 -1.26 -2.64 135.00 143.20 3i8i s PRO 36 Ca 0.96 -0.91 -0.04 0.00 0.04 0.00 0.00 61.00 61.05 3i8i s PRO 36 Cb -0.30 -5.21 0.06 0.00 0.04 0.00 0.00 34.50 29.09 3i8i s PRO 36 CO 0.34 -3.49 0.24 0.28 0.04 0.00 0.00 177.00 174.41 3i8i n VAL 37 N 7.65 0.00 -4.34 -0.36 0.31 0.55 -4.87 118.33 117.28 3i8i n VAL 37 Ca 0.43 -0.13 -0.25 0.00 -0.01 0.00 0.00 64.34 64.38 3i8i n VAL 37 Cb 0.47 -1.27 -0.09 0.00 -0.91 0.00 0.00 33.84 32.04 3i8i n VAL 37 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3i8i s SER 38 N -2.09 4.18 0.14 4.52 1.04 -1.26 -4.46 113.70 115.76 3i8i s SER 38 Ca 0.15 -1.08 -0.18 0.00 0.48 0.00 0.00 55.95 55.32 3i8i s SER 38 Cb -0.01 -0.49 -0.02 0.00 0.10 0.00 0.00 66.02 65.59 3i8i s SER 38 CO 0.11 -0.35 1.77 -0.65 0.98 0.00 0.00 173.24 175.10 3i8i h PRO 39 N 1.71 0.43 -7.30 4.02 0.11 -1.93 -3.42 132.00 125.62 3i8i h PRO 39 Ca -0.43 -0.04 -0.50 0.00 0.11 0.00 0.00 66.00 65.14 3i8i h PRO 39 Cb 1.25 -0.09 0.16 0.00 0.11 0.00 0.00 31.00 32.43 3i8i h PRO 39 CO 0.70 0.32 0.26 -1.21 -0.21 0.00 0.00 178.00 177.86 3i8i s GLU 40 N -6.04 1.47 0.23 1.05 2.02 -1.26 -4.75 118.70 111.42 3i8i s GLU 40 Ca -0.13 1.18 0.00 0.00 0.02 0.00 0.00 54.97 56.04 3i8i s GLU 40 Cb 0.10 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.52 3i8i s GLU 40 CO 0.71 -2.20 0.00 -1.33 0.02 0.00 0.00 175.26 172.47 3i8i n MET 41 N -3.90 -1.98 -3.93 1.61 2.81 -1.26 -4.97 117.12 105.50 3i8i n MET 41 Ca 0.09 1.48 -0.29 0.00 -1.81 0.00 0.00 57.70 57.17 3i8i n MET 41 Cb 0.53 -1.67 -0.16 0.00 -0.71 0.00 0.00 33.22 31.21 3i8i n MET 41 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 3i8i s ARG 42 N -5.04 1.65 -0.86 0.03 1.70 -0.22 -4.90 118.95 111.30 3i8i s ARG 42 Ca 0.00 -0.60 -0.25 0.00 -0.47 0.00 0.00 55.73 54.41 3i8i s ARG 42 Cb 0.00 -2.11 0.01 0.00 -0.57 0.00 0.00 34.95 32.28 3i8i s ARG 42 CO 0.00 -0.42 1.61 0.14 -1.08 0.00 0.00 175.30 175.55 3i8i s VAL 43 N 1.56 3.66 -0.29 4.99 -7.23 -1.26 -2.99 120.40 118.84 3i8i s VAL 43 Ca 0.01 -0.24 -0.20 0.00 -1.81 0.00 0.00 61.98 59.74 3i8i s VAL 43 Cb -0.15 -4.58 -0.01 0.00 0.56 0.00 0.00 36.38 32.20 3i8i s VAL 43 CO -0.08 -1.50 0.61 0.54 -0.31 0.00 0.00 175.10 174.36 3i8i s VAL 44 N 7.13 4.97 -0.61 1.32 0.11 -0.84 -4.89 120.40 127.58 3i8i s VAL 44 Ca 0.53 0.90 -0.22 0.00 -2.93 0.00 0.00 61.98 60.26 3i8i s VAL 44 Cb -0.06 -3.96 0.07 0.00 -1.53 0.00 0.00 36.38 30.91 3i8i s VAL 44 CO 0.03 -0.08 0.86 0.54 -3.33 0.00 0.00 175.10 173.13 3i8i s VAL 45 N 2.54 4.51 0.00 2.04 0.11 -1.26 -1.55 120.40 126.79 3i8i s VAL 45 Ca 0.25 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 3i8i s VAL 45 Cb -0.15 -4.58 0.00 0.00 -1.53 0.00 0.00 36.38 30.12 3i8i s VAL 45 CO 0.11 -1.26 0.00 -0.62 -3.33 0.00 0.00 175.10 170.00 3i8i n GLU 46 N 7.18 3.40 -3.33 1.54 1.02 -0.51 -4.98 120.64 124.96 3i8i n GLU 46 Ca -0.05 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.67 3i8i n GLU 46 Cb 0.45 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.78 3i8i n GLU 46 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3i8i s GLU 47 N 1.54 3.21 0.00 3.49 -6.30 -1.26 -4.19 118.70 115.19 3i8i s GLU 47 Ca 0.00 -0.67 0.00 0.00 -2.50 0.00 0.00 54.97 51.80 3i8i s GLU 47 Cb 0.00 -3.93 0.00 0.00 0.00 0.00 0.00 34.13 30.20 3i8i s GLU 47 CO 0.00 -0.78 0.00 0.41 0.02 0.00 0.00 175.26 174.91 3i8i n GLY 48 N 5.07 0.38 3.38 -1.50 0.00 -1.26 -4.94 105.19 106.32 3i8i n GLY 48 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 3i8i n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i8i s VAL 49 N -1.96 0.06 -0.40 1.61 -7.23 -1.26 -3.62 120.40 107.60 3i8i s VAL 49 Ca 0.00 -1.13 0.03 0.00 -1.81 0.00 0.00 61.98 59.07 3i8i s VAL 49 Cb 0.00 -1.66 0.16 0.00 0.56 0.00 0.00 36.38 35.44 3i8i s VAL 49 CO 0.00 -0.28 0.32 0.54 -0.31 0.00 0.00 175.10 175.37 3i8i s VAL 50 N -3.92 0.20 1.26 1.32 0.11 -1.26 -1.42 120.40 116.69 3i8i s VAL 50 Ca 0.12 -2.27 -0.17 0.00 -2.93 0.00 0.00 61.98 56.73 3i8i s VAL 50 Cb 0.02 -1.14 0.29 0.00 -1.53 0.00 0.00 36.38 34.02 3i8i s VAL 50 CO -0.03 -1.10 0.78 0.54 -3.33 0.00 0.00 175.10 171.96 3i8i n ARG 51 N 3.21 -3.11 -3.73 1.54 1.74 -0.59 -4.06 116.66 111.65 3i8i n ARG 51 Ca 0.24 -0.90 -0.12 0.00 -0.77 0.00 0.00 57.85 56.30 3i8i n ARG 51 Cb 0.45 -1.98 -0.12 0.00 -1.02 0.00 0.00 32.46 29.79 3i8i n ARG 51 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3i8i s VAL 52 N -2.27 -0.02 0.07 1.55 1.01 -1.26 -1.99 120.40 117.49 3i8i s VAL 52 Ca 0.65 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.72 3i8i s VAL 52 Cb -0.19 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 3i8i s VAL 52 CO 0.62 0.03 -0.06 -0.70 0.00 0.00 0.00 175.10 174.98 3i8i s GLU 53 N 0.91 0.70 0.38 2.72 2.56 -1.16 -4.74 118.70 120.07 3i8i s GLU 53 Ca -0.06 -1.13 0.07 0.00 0.00 0.00 0.00 54.97 53.86 3i8i s GLU 53 Cb -0.07 -0.17 -0.01 0.00 2.00 0.00 0.00 34.13 35.88 3i8i s GLU 53 CO -0.07 -0.01 0.43 -0.98 -0.56 0.00 0.00 175.26 174.07 3i8i s ARG 54 N -3.10 2.79 -0.05 4.30 3.03 -1.26 -1.06 118.95 123.60 3i8i s ARG 54 Ca 0.04 -1.29 -0.12 0.00 2.03 0.00 0.00 55.73 56.39 3i8i s ARG 54 Cb 0.01 -2.60 -0.07 0.00 -1.03 0.00 0.00 34.95 31.26 3i8i s ARG 54 CO -0.04 -0.08 0.51 -1.00 -1.13 0.00 0.00 175.30 173.56 3i8i h PRO 55 N 0.95 -0.43 0.00 3.89 0.13 -1.95 -3.47 132.00 131.13 3i8i h PRO 55 Ca -0.43 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3i8i h PRO 55 Cb 1.26 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.49 3i8i h PRO 55 CO 0.53 -0.29 0.00 -1.13 -0.23 0.00 0.00 178.00 176.89 3i8i n SER 56 N -5.04 0.00 -2.68 1.44 3.41 -1.26 -5.07 113.62 104.41 3i8i n SER 56 Ca -0.06 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.47 3i8i n SER 56 Cb 0.17 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.20 3i8i n SER 56 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3i8i n ASP 57 N 0.00 -0.36 -4.86 4.04 8.00 -1.26 -4.87 116.55 117.24 3i8i n ASP 57 Ca 0.00 -2.59 -0.32 0.00 0.71 0.00 0.00 54.79 52.59 3i8i n ASP 57 Cb 0.00 0.31 -0.05 0.00 -0.02 0.00 0.00 41.12 41.35 3i8i n ASP 57 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3i8i s GLU 58 N -1.34 3.25 0.38 -1.24 2.02 -1.26 -4.90 118.70 115.61 3i8i s GLU 58 Ca 0.24 -0.46 0.23 0.00 0.02 0.00 0.00 54.97 55.00 3i8i s GLU 58 Cb 0.43 -2.96 1.37 0.00 0.10 0.00 0.00 34.13 33.07 3i8i s GLU 58 CO -0.03 0.63 1.58 0.00 0.02 0.00 0.00 175.26 177.46 3i8i h ARG 59 N 3.58 0.01 0.00 1.61 2.47 -2.00 0.90 114.38 120.95 3i8i h ARG 59 Ca -0.47 -0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.09 3i8i h ARG 59 Cb 1.17 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.47 3i8i h ARG 59 CO 0.69 0.00 -0.76 -0.09 0.56 0.00 0.00 179.97 180.37 3i8i h ARG 60 N 0.01 0.00 0.00 0.04 2.43 -2.01 -3.16 114.38 111.69 3i8i h ARG 60 Ca 0.85 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 60.02 3i8i h ARG 60 Cb 2.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.88 3i8i h ARG 60 CO -0.72 0.76 -0.00 0.45 -1.51 0.00 0.00 179.97 178.95 3i8i h HIS 61 N 0.00 -0.00 -0.82 2.20 3.86 0.35 -3.30 115.15 117.43 3i8i h HIS 61 Ca -0.01 -0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.35 3i8i h HIS 61 Cb 1.45 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.78 3i8i h HIS 61 CO 0.00 0.95 -0.32 0.87 0.86 0.00 0.00 177.93 180.29 3i8i h LYS 62 N -0.99 -0.05 -0.13 2.45 1.57 -1.15 -2.19 116.57 116.06 3i8i h LYS 62 Ca -0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3i8i h LYS 62 Cb 0.95 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.24 3i8i h LYS 62 CO 0.00 -0.03 -0.27 0.77 -0.57 0.00 0.00 179.45 179.34 3i8i h SER 63 N -0.05 -0.89 -0.36 0.86 0.02 -1.66 -0.17 113.55 111.30 3i8i h SER 63 Ca 0.33 0.11 0.10 0.00 -0.84 0.00 0.00 61.79 61.50 3i8i h SER 63 Cb 0.59 0.36 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 3i8i h SER 63 CO -0.86 -0.22 0.36 -0.07 -1.14 0.00 0.00 176.83 174.90 3i8i h LEU 64 N -0.24 0.00 0.02 5.07 3.38 -1.52 -2.37 115.31 119.64 3i8i h LEU 64 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3i8i h LEU 64 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3i8i h LEU 64 CO -0.26 0.00 -0.01 -0.74 0.09 0.00 0.00 178.44 177.53 3i8i h HIS 65 N 0.00 -0.02 -0.29 1.13 2.76 -0.44 0.13 115.15 118.42 3i8i h HIS 65 Ca 0.17 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.37 3i8i h HIS 65 Cb 0.88 0.01 -0.06 0.00 1.55 0.00 0.00 27.41 29.80 3i8i h HIS 65 CO 0.00 -0.01 -0.38 0.78 -1.30 0.00 0.00 177.93 177.02 3i8i h GLY 66 N -0.02 -1.32 -0.88 5.26 0.00 -1.10 -1.42 103.07 103.59 3i8i h GLY 66 Ca -0.00 0.76 0.08 0.00 0.00 0.00 0.00 47.33 48.17 3i8i h GLY 66 CO 0.00 -0.32 -0.52 -0.10 0.00 0.00 0.00 176.54 175.61 3i8i n LEU 67 N -4.50 -0.93 0.28 3.11 7.94 -0.92 -2.13 117.00 119.84 3i8i n LEU 67 Ca -0.02 1.57 -0.18 0.00 -1.11 0.00 0.00 56.01 56.27 3i8i n LEU 67 Cb 0.23 -0.21 -0.10 0.00 0.53 0.00 0.00 43.42 43.87 3i8i n LEU 67 CO 0.00 -1.28 0.52 0.74 -1.11 0.00 0.00 177.39 176.27 3i8i h THR 68 N 0.00 0.00 -0.97 1.96 2.02 -0.06 0.91 112.91 116.76 3i8i h THR 68 Ca 0.14 0.00 0.32 0.00 0.77 0.00 0.00 66.41 67.64 3i8i h THR 68 Cb 0.36 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.60 3i8i h THR 68 CO -0.82 0.00 0.27 -0.09 0.37 0.00 0.00 175.52 175.25 3i8i h ARG 69 N -0.99 0.07 0.01 6.66 9.65 -0.80 0.29 114.38 129.26 3i8i h ARG 69 Ca -0.06 -0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.78 3i8i h ARG 69 Cb 0.87 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.43 3i8i h ARG 69 CO -0.08 0.04 -0.15 1.15 2.80 0.00 0.00 179.97 183.73 3i8i h THR 70 N 0.07 1.62 -0.99 0.20 2.02 -0.93 -2.35 112.91 112.54 3i8i h THR 70 Ca 0.68 -2.01 0.25 0.00 0.77 0.00 0.00 66.41 66.10 3i8i h THR 70 Cb 1.57 2.94 -0.07 0.00 -1.74 0.00 0.00 68.15 70.85 3i8i h THR 70 CO -0.80 0.54 0.66 0.25 0.37 0.00 0.00 175.52 176.54 3i8i h LEU 71 N -0.68 0.33 0.16 2.58 5.85 0.41 -0.80 115.31 123.16 3i8i h LEU 71 Ca -0.02 0.05 -0.33 0.00 0.84 0.00 0.00 57.88 58.42 3i8i h LEU 71 Cb 0.96 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.99 3i8i h LEU 71 CO 0.03 0.09 -1.62 0.40 -0.34 0.00 0.00 178.44 177.00 3i8i h ILE 72 N 0.31 1.07 -0.42 4.05 2.04 -0.69 -3.29 117.51 120.58 3i8i h ILE 72 Ca 0.53 -2.67 0.09 0.00 1.00 0.00 0.00 64.86 63.81 3i8i h ILE 72 Cb 1.50 2.78 -0.09 0.00 -0.74 0.00 0.00 36.82 40.28 3i8i h ILE 72 CO -0.19 0.83 -0.16 0.00 0.00 0.00 0.00 178.15 178.64 3i8i h ALA 73 N 0.30 0.19 0.00 1.87 0.00 -0.60 0.34 119.26 121.36 3i8i h ALA 73 Ca -0.29 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3i8i h ALA 73 Cb 2.07 0.41 0.00 0.00 0.00 0.00 0.00 17.79 20.27 3i8i h ALA 73 CO 0.18 -0.51 0.03 -0.91 0.00 0.00 0.00 179.25 178.04 3i8i h ASN 74 N -0.07 0.00 0.10 0.00 2.35 -1.44 0.37 115.58 116.89 3i8i h ASN 74 Ca 0.20 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.73 3i8i h ASN 74 Cb 0.38 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 3i8i h ASN 74 CO -0.47 0.00 -1.12 0.00 -1.65 0.00 0.00 177.43 174.20 3i8i h ALA 75 N 1.93 0.11 0.58 -0.83 0.00 -0.45 -2.19 119.26 118.41 3i8i h ALA 75 Ca 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 54.91 53.93 3i8i h ALA 75 Cb 0.06 0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.23 3i8i h ALA 75 CO 0.00 0.63 -0.28 0.28 0.00 0.00 0.00 179.25 179.88 3i8i h VAL 76 N -0.47 0.40 -0.13 0.00 2.07 0.38 -2.25 116.25 116.26 3i8i h VAL 76 Ca -0.24 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.18 3i8i h VAL 76 Cb 1.60 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 3i8i h VAL 76 CO 0.04 0.02 0.13 0.50 0.02 0.00 0.00 177.57 178.29 3i8i h LYS 77 N -0.87 0.00 0.00 1.57 3.64 -0.54 -2.46 116.57 117.92 3i8i h LYS 77 Ca -0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3i8i h LYS 77 Cb 0.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3i8i h LYS 77 CO 0.13 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.72 3i8i n GLY 78 N -1.41 -1.42 0.00 5.01 0.00 -0.82 -3.40 105.19 103.15 3i8i n GLY 78 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.00 3i8i n GLY 78 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i8i n VAL 79 N -1.61 0.00 -2.49 1.61 0.24 -0.93 -4.51 118.33 110.64 3i8i n VAL 79 Ca 0.06 -0.23 -0.27 0.00 -2.04 0.00 0.00 64.34 61.86 3i8i n VAL 79 Cb 0.31 0.97 -0.00 0.00 -1.47 0.00 0.00 33.84 33.65 3i8i n VAL 79 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3i8i n SER 80 N -1.29 4.68 -0.43 -1.34 3.41 -1.21 -2.35 113.62 115.08 3i8i n SER 80 Ca 0.02 -3.71 0.00 0.00 -0.26 0.00 0.00 58.87 54.92 3i8i n SER 80 Cb 0.18 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 3i8i n SER 80 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i8i n GLU 81 N -0.47 0.00 -0.83 4.33 4.71 -1.24 -4.96 120.64 122.18 3i8i n GLU 81 Ca 0.39 0.26 -0.05 0.00 -0.01 0.00 0.00 57.16 57.75 3i8i n GLU 81 Cb 0.65 -0.17 -0.05 0.00 -1.01 0.00 0.00 31.44 30.87 3i8i n GLU 81 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3i8i n GLY 82 N 1.41 0.28 0.00 0.62 0.00 -1.25 -4.51 105.19 101.74 3i8i n GLY 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i8i n GLY 82 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i8i n TYR 83 N 0.00 0.00 -3.80 1.61 4.02 -1.19 -4.42 117.16 113.37 3i8i n TYR 83 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 3i8i n TYR 83 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.89 3i8i n TYR 83 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3i8i n SER 84 N 0.00 -4.32 -2.26 7.72 3.41 -1.26 -3.76 113.62 113.14 3i8i n SER 84 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3i8i n SER 84 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3i8i n SER 84 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3i8i n LYS 85 N -1.36 -2.14 0.00 4.33 3.00 -1.26 -4.20 118.16 116.53 3i8i n LYS 85 Ca 0.00 1.90 0.00 0.00 -0.00 0.00 0.00 58.31 60.21 3i8i n LYS 85 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 35.03 31.25 3i8i n LYS 85 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 3i8i n GLU 86 N 0.37 0.00 0.00 1.64 0.00 -1.26 -1.98 120.64 119.41 3i8i n GLU 86 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.17 3i8i n GLU 86 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.47 3i8i n GLU 86 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3i8i n LEU 87 N 0.00 0.00 -4.31 -1.84 4.77 -1.21 -3.54 117.00 110.87 3i8i n LEU 87 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 3i8i n LEU 87 Cb 0.00 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 3i8i n LEU 87 CO 0.00 0.00 -0.44 -0.76 -1.33 0.00 0.00 177.39 174.86 3i8i s LEU 88 N 0.00 2.68 0.00 2.23 1.02 -0.90 -1.89 118.68 121.81 3i8i s LEU 88 Ca 0.00 -0.40 0.30 0.00 0.02 0.00 0.00 54.13 54.05 3i8i s LEU 88 Cb 0.00 -1.63 1.49 0.00 0.02 0.00 0.00 46.19 46.07 3i8i s LEU 88 CO 0.00 0.08 2.04 2.30 0.02 0.00 0.00 176.35 180.78 3i8i n ILE 89 N 4.13 0.00 0.00 -0.59 -0.00 -1.23 0.25 119.36 121.91 3i8i n ILE 89 Ca -0.19 -0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.56 3i8i n ILE 89 Cb 0.52 -0.47 0.00 0.00 -0.00 0.00 0.00 39.64 39.69 3i8i n ILE 89 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 3i8i n LYS 90 N -1.28 0.00 0.00 6.28 5.02 -1.18 -3.48 118.16 123.51 3i8i n LYS 90 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 3i8i n LYS 90 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.26 3i8i n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i8i n GLY 91 N 0.17 0.64 0.00 0.72 0.00 -1.26 -0.59 105.19 104.87 3i8i n GLY 91 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.65 3i8i n GLY 91 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i8i n ILE 92 N 0.00 0.00 0.79 -0.61 -0.00 -1.26 0.13 119.36 118.40 3i8i n ILE 92 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 62.75 62.84 3i8i n ILE 92 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 39.64 39.70 3i8i n ILE 92 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3i8i n GLY 93 N -0.79 0.37 3.71 7.39 0.00 -1.26 -4.98 105.19 109.64 3i8i n GLY 93 Ca 0.00 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 3i8i n GLY 93 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i8i s TYR 94 N -1.67 3.49 0.22 1.61 1.51 0.34 -4.92 117.35 117.93 3i8i s TYR 94 Ca 0.21 1.39 -0.22 0.00 -1.01 0.00 0.00 57.07 57.43 3i8i s TYR 94 Cb 0.15 -3.36 0.04 0.00 -0.11 0.00 0.00 41.96 38.69 3i8i s TYR 94 CO 0.28 -1.00 0.76 -0.98 -1.11 0.00 0.00 175.55 173.49 3i8i s ARG 95 N 0.96 1.55 -0.01 -0.62 1.70 -1.00 -4.55 118.95 116.98 3i8i s ARG 95 Ca 0.57 -0.81 -0.01 0.00 -0.47 0.00 0.00 55.73 55.01 3i8i s ARG 95 Cb -0.28 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 34.66 3i8i s ARG 95 CO 0.29 -0.70 0.02 0.00 -1.08 0.00 0.00 175.30 173.83 3i8i s ALA 96 N -3.73 -0.05 0.00 7.88 0.00 -1.22 0.23 121.76 124.86 3i8i s ALA 96 Ca 0.09 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.13 3i8i s ALA 96 Cb -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.03 3i8i s ALA 96 CO 0.02 -0.02 0.00 0.54 0.00 0.00 0.00 175.76 176.31 3i8i n ARG 97 N 3.13 3.66 -3.34 0.00 1.74 0.16 -4.84 116.66 117.17 3i8i n ARG 97 Ca -0.13 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.81 3i8i n ARG 97 Cb 0.59 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.96 3i8i n ARG 97 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3i8i s LEU 98 N 0.00 -0.37 -1.23 0.55 2.96 -1.26 -2.12 118.68 117.21 3i8i s LEU 98 Ca 0.00 -1.17 -0.19 0.00 -0.22 0.00 0.00 54.13 52.56 3i8i s LEU 98 Cb 0.00 0.80 -0.01 0.00 0.50 0.00 0.00 46.19 47.47 3i8i s LEU 98 CO 0.00 -0.29 1.94 0.52 -1.32 0.00 0.00 176.35 177.21 3i8i n VAL 99 N 4.61 3.03 0.00 1.68 0.31 0.26 -4.74 118.33 123.48 3i8i n VAL 99 Ca 0.07 -2.95 0.00 0.00 -0.01 0.00 0.00 64.34 61.46 3i8i n VAL 99 Cb 0.47 -2.38 0.00 0.00 -0.91 0.00 0.00 33.84 31.03 3i8i n VAL 99 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i8i n GLY 100 N 4.99 1.34 0.09 2.92 0.00 -1.26 -3.59 105.19 109.69 3i8i n GLY 100 Ca 0.49 -0.85 0.08 0.00 0.00 0.00 0.00 46.02 45.74 3i8i n GLY 100 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i8i n ARG 101 N 3.35 0.62 -3.40 1.61 0.63 -1.26 -4.91 116.66 113.30 3i8i n ARG 101 Ca 0.00 0.09 -0.33 0.00 -0.92 0.00 0.00 57.85 56.69 3i8i n ARG 101 Cb 0.00 -1.77 -0.05 0.00 0.45 0.00 0.00 32.46 31.09 3i8i n ARG 101 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i8i s ALA 102 N -3.26 3.57 -0.13 5.13 0.00 -1.24 -4.62 121.76 121.21 3i8i s ALA 102 Ca -0.03 -0.23 -0.05 0.00 0.00 0.00 0.00 51.96 51.65 3i8i s ALA 102 Cb 0.10 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 3i8i s ALA 102 CO 0.82 0.49 0.07 -0.48 0.00 0.00 0.00 175.76 176.66 3i8i s LEU 103 N -2.57 3.95 -0.51 0.00 2.34 -0.99 0.91 118.68 121.80 3i8i s LEU 103 Ca 0.45 0.25 -0.03 0.00 0.06 0.00 0.00 54.13 54.86 3i8i s LEU 103 Cb -0.12 -1.95 0.13 0.00 -0.56 0.00 0.00 46.19 43.69 3i8i s LEU 103 CO 0.20 0.33 0.32 -0.70 -1.06 0.00 0.00 176.35 175.44 3i8i s GLU 104 N -0.58 2.27 0.25 1.48 2.12 -0.90 -1.73 118.70 121.61 3i8i s GLU 104 Ca 0.11 -2.15 -0.09 0.00 0.36 0.00 0.00 54.97 53.19 3i8i s GLU 104 Cb -0.12 -3.66 -0.07 0.00 0.26 0.00 0.00 34.13 30.54 3i8i s GLU 104 CO 0.02 -1.12 0.57 -0.48 -0.54 0.00 0.00 175.26 173.70 3i8i s LEU 105 N 0.58 4.14 -0.29 2.70 -0.00 -0.80 -0.66 118.68 124.35 3i8i s LEU 105 Ca 0.12 0.92 0.02 0.00 -0.00 0.00 0.00 54.13 55.19 3i8i s LEU 105 Cb -0.22 -3.70 0.08 0.00 -0.00 0.00 0.00 46.19 42.36 3i8i s LEU 105 CO -0.04 -0.11 0.01 0.42 -0.00 0.00 0.00 176.35 176.64 3i8i s THR 106 N -1.88 1.67 -0.56 5.48 -4.23 0.13 -1.26 115.64 114.99 3i8i s THR 106 Ca 0.47 -1.66 0.06 0.00 -1.18 0.00 0.00 61.69 59.39 3i8i s THR 106 Cb -0.11 -2.09 0.31 0.00 1.34 0.00 0.00 72.50 71.95 3i8i s THR 106 CO 0.22 -0.39 0.85 1.33 -0.54 0.00 0.00 174.62 176.09 3i8i n VAL 107 N 4.56 2.32 -0.59 2.29 0.24 -1.26 -2.36 118.33 123.52 3i8i n VAL 107 Ca -0.05 -5.29 0.00 0.00 -2.04 0.00 0.00 64.34 56.96 3i8i n VAL 107 Cb 0.43 -1.50 0.00 0.00 -1.47 0.00 0.00 33.84 31.30 3i8i n VAL 107 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i8i n GLY 108 N 0.20 1.19 3.84 7.63 0.00 -1.26 -5.01 105.19 111.79 3i8i n GLY 108 Ca 0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 3i8i n GLY 108 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i8i s PHE 109 N -2.97 3.43 0.00 1.61 0.40 -1.26 -4.82 117.98 114.37 3i8i s PHE 109 Ca 0.00 1.47 -0.00 0.00 -0.60 0.00 0.00 56.93 57.80 3i8i s PHE 109 Cb 0.00 -2.78 -0.02 0.00 0.51 0.00 0.00 43.02 40.73 3i8i s PHE 109 CO 0.00 -0.32 1.04 -1.13 0.70 0.00 0.00 175.22 175.51 3i8i n SER 110 N -1.42 2.41 0.00 1.36 3.41 -1.26 -4.45 113.62 113.67 3i8i n SER 110 Ca 0.06 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 57.00 3i8i n SER 110 Cb 0.54 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 3i8i n SER 110 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3i8i n HIS 111 N 1.91 0.00 -2.63 7.33 -0.00 -1.26 -5.16 115.22 115.40 3i8i n HIS 111 Ca 0.03 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.42 3i8i n HIS 111 Cb 0.25 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.19 3i8i n HIS 111 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3i8i s PRO 112 N -1.32 4.03 -0.05 1.57 0.04 -1.26 -4.75 135.00 133.26 3i8i s PRO 112 Ca 0.00 0.95 -0.02 0.00 0.04 0.00 0.00 61.00 61.97 3i8i s PRO 112 Cb 0.00 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 3i8i s PRO 112 CO 0.00 -0.14 0.08 0.08 0.04 0.00 0.00 177.00 177.06 3i8i s VAL 113 N -2.41 4.80 -0.09 -0.36 1.01 -0.39 -5.01 120.40 117.96 3i8i s VAL 113 Ca 0.59 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.37 3i8i s VAL 113 Cb -0.10 -3.14 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 3i8i s VAL 113 CO 0.24 0.46 -0.24 -0.69 0.00 0.00 0.00 175.10 174.87 3i8i s VAL 114 N -1.09 2.08 -0.13 2.92 1.01 -1.26 -1.91 120.40 122.02 3i8i s VAL 114 Ca 0.19 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.16 3i8i s VAL 114 Cb -0.12 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.50 3i8i s VAL 114 CO 0.09 0.56 -0.15 -0.69 0.00 0.00 0.00 175.10 174.92 3i8i s VAL 115 N 0.18 1.56 0.08 2.92 1.01 -0.70 -5.03 120.40 120.41 3i8i s VAL 115 Ca -0.14 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 60.98 3i8i s VAL 115 Cb -0.17 -1.43 -0.07 0.00 0.00 0.00 0.00 36.38 34.71 3i8i s VAL 115 CO 0.07 0.45 0.60 -0.70 0.00 0.00 0.00 175.10 175.52 3i8i s GLU 116 N 1.17 4.26 -0.08 2.72 -6.30 -1.26 -2.36 118.70 116.85 3i8i s GLU 116 Ca -0.02 0.79 -0.27 0.00 -2.50 0.00 0.00 54.97 52.97 3i8i s GLU 116 Cb -0.14 -3.25 -0.03 0.00 0.00 0.00 0.00 34.13 30.71 3i8i s GLU 116 CO -0.05 0.61 0.86 -1.25 0.02 0.00 0.00 175.26 175.45 3i8i s PRO 117 N -1.03 4.44 0.82 4.30 0.04 -1.26 -5.03 135.00 137.28 3i8i s PRO 117 Ca 0.30 1.15 -0.12 0.00 0.04 0.00 0.00 61.00 62.38 3i8i s PRO 117 Cb -0.20 -3.50 0.08 0.00 0.04 0.00 0.00 34.50 30.93 3i8i s PRO 117 CO 0.20 -0.13 1.10 -1.25 0.04 0.00 0.00 177.00 176.96 3i8i s PRO 118 N 1.39 1.88 0.90 0.56 0.04 -1.26 -4.94 135.00 133.56 3i8i s PRO 118 Ca 0.44 0.66 -0.10 0.00 0.04 0.00 0.00 61.00 62.03 3i8i s PRO 118 Cb -0.18 -1.89 0.14 0.00 0.04 0.00 0.00 34.50 32.60 3i8i s PRO 118 CO 0.20 -1.77 1.15 -2.00 0.04 0.00 0.00 177.00 174.62 3i8i s GLU 119 N -5.12 1.11 0.00 4.56 2.56 -1.26 -2.70 118.70 117.85 3i8i s GLU 119 Ca 0.61 1.57 0.00 0.00 0.00 0.00 0.00 54.97 57.15 3i8i s GLU 119 Cb -0.15 -1.74 0.00 0.00 2.00 0.00 0.00 34.13 34.24 3i8i s GLU 119 CO 0.55 -2.57 0.00 0.41 -0.56 0.00 0.00 175.26 173.09 3i8i n GLY 120 N 0.21 1.25 3.13 -1.50 0.00 -1.26 -4.99 105.19 102.02 3i8i n GLY 120 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 3i8i n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8i s ILE 121 N -3.65 0.94 0.01 -0.61 1.01 -1.10 -3.06 121.20 114.75 3i8i s ILE 121 Ca 0.00 -1.11 -0.01 0.00 0.00 0.00 0.00 60.65 59.53 3i8i s ILE 121 Cb 0.00 -0.91 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 3i8i s ILE 121 CO 0.00 -0.18 0.01 -0.89 0.00 0.00 0.00 174.94 173.88 3i8i s THR 122 N -1.12 0.09 -0.25 2.92 2.01 -0.78 -4.76 115.64 113.76 3i8i s THR 122 Ca -0.03 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.17 3i8i s THR 122 Cb -0.09 -0.26 -0.01 0.00 0.01 0.00 0.00 72.50 72.15 3i8i s THR 122 CO 0.01 -0.41 0.03 -0.36 -0.69 0.00 0.00 174.62 173.21 3i8i s PHE 123 N -1.24 3.06 -0.11 4.92 0.40 -1.26 -1.33 117.98 122.42 3i8i s PHE 123 Ca -0.13 -0.75 -0.30 0.00 -0.60 0.00 0.00 56.93 55.15 3i8i s PHE 123 Cb -0.08 -2.19 -0.02 0.00 0.51 0.00 0.00 43.02 41.24 3i8i s PHE 123 CO -0.00 -0.48 1.13 -2.00 0.70 0.00 0.00 175.22 174.56 3i8i s GLU 124 N 1.54 4.35 -0.46 0.44 2.56 -0.72 -4.95 118.70 121.46 3i8i s GLU 124 Ca 0.05 1.54 0.08 0.00 0.00 0.00 0.00 54.97 56.64 3i8i s GLU 124 Cb -0.15 -3.59 0.39 0.00 2.00 0.00 0.00 34.13 32.78 3i8i s GLU 124 CO 0.01 -0.46 0.98 0.28 -0.56 0.00 0.00 175.26 175.51 3i8i n VAL 125 N 4.78 2.03 0.00 3.70 0.31 -1.26 -2.98 118.33 124.91 3i8i n VAL 125 Ca 0.11 -4.81 0.00 0.00 -0.01 0.00 0.00 64.34 59.63 3i8i n VAL 125 Cb 0.47 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 3i8i n VAL 125 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3i8i n PRO 126 N -0.23 0.00 -0.15 5.55 -0.04 -1.26 -4.58 135.00 134.29 3i8i n PRO 126 Ca 0.30 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 3i8i n PRO 126 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 3i8i n PRO 126 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3i8i n GLU 127 N 0.00 0.00 -0.11 0.54 2.13 -1.25 -4.95 120.64 117.01 3i8i n GLU 127 Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 3i8i n GLU 127 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 3i8i n GLU 127 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3i8i n PRO 128 N 0.00 0.52 -2.43 5.31 -0.04 -1.26 -4.68 135.00 132.42 3i8i n PRO 128 Ca 0.00 0.15 -0.29 0.00 -0.04 0.00 0.00 63.50 63.33 3i8i n PRO 128 Cb 0.00 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 3i8i n PRO 128 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3i8i n THR 129 N -3.44 2.60 -3.15 0.52 -2.24 -1.26 -3.46 114.28 103.86 3i8i n THR 129 Ca -0.40 -4.90 0.05 0.00 -2.27 0.00 0.00 64.05 56.53 3i8i n THR 129 Cb 0.88 -1.27 -0.01 0.00 -2.10 0.00 0.00 70.33 67.82 3i8i n THR 129 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3i8i s ARG 130 N -3.62 0.26 0.20 -0.78 3.00 -1.26 -3.58 118.95 113.17 3i8i s ARG 130 Ca 0.49 0.34 -0.01 0.00 -1.00 0.00 0.00 55.73 55.55 3i8i s ARG 130 Cb 0.40 0.17 -0.04 0.00 0.00 0.00 0.00 34.95 35.48 3i8i s ARG 130 CO -0.22 -0.40 0.39 0.08 0.00 0.00 0.00 175.30 175.15 3i8i s VAL 131 N 2.93 5.21 -0.13 7.11 1.01 -0.80 -3.83 120.40 131.90 3i8i s VAL 131 Ca 0.15 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 3i8i s VAL 131 Cb -0.07 -3.73 0.07 0.00 0.00 0.00 0.00 36.38 32.65 3i8i s VAL 131 CO -0.19 -0.16 0.28 0.00 0.00 0.00 0.00 175.10 175.02 3i8i s ARG 132 N -3.28 0.16 -0.46 2.72 1.04 -1.16 -3.32 118.95 114.65 3i8i s ARG 132 Ca 0.38 0.77 -0.27 0.00 -1.04 0.00 0.00 55.73 55.58 3i8i s ARG 132 Cb -0.11 -0.00 0.03 0.00 -2.04 0.00 0.00 34.95 32.82 3i8i s ARG 132 CO 0.29 -0.28 0.99 0.08 -0.04 0.00 0.00 175.30 176.34 3i8i s VAL 133 N 2.42 4.40 -0.05 4.99 1.01 -0.84 -1.75 120.40 130.59 3i8i s VAL 133 Ca 0.01 0.92 -0.12 0.00 0.00 0.00 0.00 61.98 62.78 3i8i s VAL 133 Cb -0.12 -4.48 -0.05 0.00 0.00 0.00 0.00 36.38 31.73 3i8i s VAL 133 CO -0.09 -0.87 0.32 -0.44 0.00 0.00 0.00 175.10 174.02 3i8i s SER 134 N 2.30 6.65 0.08 3.32 0.01 -0.44 -4.35 113.70 121.27 3i8i s SER 134 Ca 0.40 0.77 -0.11 0.00 1.31 0.00 0.00 55.95 58.32 3i8i s SER 134 Cb -0.09 -2.19 0.01 0.00 0.21 0.00 0.00 66.02 63.96 3i8i s SER 134 CO 0.27 0.33 0.26 -0.83 0.41 0.00 0.00 173.24 173.68 3i8i s GLY 135 N -0.92 -0.04 -0.13 3.44 0.00 -1.25 -1.86 107.32 106.57 3i8i s GLY 135 Ca 0.20 -0.34 0.18 0.00 0.00 0.00 0.00 44.72 44.76 3i8i s GLY 135 CO 0.10 -0.55 1.66 1.39 0.00 0.00 0.00 173.10 175.70 3i8i n ILE 136 N 0.10 1.98 0.00 0.90 -0.00 -1.17 -3.20 119.36 117.97 3i8i n ILE 136 Ca -0.16 -1.22 0.00 0.00 -0.00 0.00 0.00 62.75 61.36 3i8i n ILE 136 Cb 0.62 0.07 0.00 0.00 -0.00 0.00 0.00 39.64 40.33 3i8i n ILE 136 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 3i8i n ASP 137 N 1.10 0.00 0.00 4.38 -0.08 -1.26 -4.68 116.55 116.01 3i8i n ASP 137 Ca 0.27 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.55 3i8i n ASP 137 Cb 0.95 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.41 3i8i n ASP 137 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 3i8i n LYS 138 N 0.00 0.00 0.48 -0.67 3.00 -1.26 -4.70 118.16 115.01 3i8i n LYS 138 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.11 3i8i n LYS 138 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 34.93 3i8i n LYS 138 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 3i8i h GLN 139 N 0.00 -1.21 -0.74 1.64 5.75 -1.98 -0.69 115.11 117.89 3i8i h GLN 139 Ca 0.00 0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.59 3i8i h GLN 139 Cb 0.00 0.27 -0.04 0.00 1.07 0.00 0.00 27.48 28.79 3i8i h GLN 139 CO 0.00 -0.80 0.49 0.87 -2.65 0.00 0.00 178.83 176.73 3i8i h LYS 140 N -1.25 0.97 0.32 1.69 1.57 -1.99 -0.84 116.57 117.04 3i8i h LYS 140 Ca -0.12 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 3i8i h LYS 140 Cb 0.97 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.07 3i8i h LYS 140 CO 0.18 0.65 -0.18 0.28 -0.57 0.00 0.00 179.45 179.81 3i8i h VAL 141 N 1.00 0.00 -1.24 0.50 2.07 -1.90 -1.68 116.25 115.00 3i8i h VAL 141 Ca 0.27 0.00 0.37 0.00 0.82 0.00 0.00 66.70 68.16 3i8i h VAL 141 Cb -0.11 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.55 3i8i h VAL 141 CO -0.06 0.00 0.81 1.23 0.02 0.00 0.00 177.57 179.57 3i8i h GLY 142 N -0.46 1.10 0.57 2.17 0.00 -1.02 0.08 103.07 105.51 3i8i h GLY 142 Ca -0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 3i8i h GLY 142 CO 0.06 -0.25 -0.19 -1.61 0.00 0.00 0.00 176.54 174.54 3i8i h GLN 143 N 0.18 -0.50 -0.12 4.80 -0.00 -0.83 -2.19 115.11 116.46 3i8i h GLN 143 Ca 0.72 0.03 0.02 0.00 -0.00 0.00 0.00 58.65 59.43 3i8i h GLN 143 Cb 2.22 0.11 -0.01 0.00 0.00 0.00 0.00 27.48 29.81 3i8i h GLN 143 CO -0.32 -0.19 0.08 0.28 0.00 0.00 0.00 178.83 178.68 3i8i h VAL 144 N -0.96 0.98 -0.26 2.39 2.07 -0.54 0.54 116.25 120.47 3i8i h VAL 144 Ca -0.05 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3i8i h VAL 144 Cb 0.54 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3i8i h VAL 144 CO 0.09 0.01 0.17 0.00 0.02 0.00 0.00 177.57 177.86 3i8i h ALA 145 N 1.94 0.33 0.50 1.67 0.00 -0.94 -0.86 119.26 121.90 3i8i h ALA 145 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3i8i h ALA 145 Cb 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3i8i h ALA 145 CO -0.01 -0.20 -0.45 0.00 0.00 0.00 0.00 179.25 178.60 3i8i h ALA 146 N 1.09 -1.02 -0.39 0.00 0.00 -0.26 -0.91 119.26 117.78 3i8i h ALA 146 Ca 0.10 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.91 3i8i h ALA 146 Cb -0.04 0.63 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 3i8i h ALA 146 CO -0.02 -1.11 -0.28 -0.91 0.00 0.00 0.00 179.25 176.93 3i8i h ASN 147 N -0.94 -0.94 -0.22 0.00 -0.26 -1.21 2.07 115.58 114.07 3i8i h ASN 147 Ca -0.06 0.18 0.03 0.00 -0.56 0.00 0.00 56.30 55.89 3i8i h ASN 147 Cb 0.81 0.46 -0.05 0.00 -1.06 0.00 0.00 38.32 38.48 3i8i h ASN 147 CO -0.03 -0.29 -0.39 0.40 -1.06 0.00 0.00 177.43 176.06 3i8i h ILE 148 N -0.22 0.00 -0.88 2.81 1.08 -0.95 0.24 117.51 119.60 3i8i h ILE 148 Ca 0.18 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.77 3i8i h ILE 148 Cb 0.51 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.19 3i8i h ILE 148 CO -0.52 0.00 0.57 -0.09 -0.69 0.00 0.00 178.15 177.42 3i8i h ARG 149 N -0.32 0.76 -0.05 2.37 2.43 0.18 0.06 114.38 119.81 3i8i h ARG 149 Ca 0.04 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3i8i h ARG 149 Cb 0.43 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3i8i h ARG 149 CO -0.38 0.50 0.00 0.00 -1.51 0.00 0.00 179.97 178.59 3i8i n ALA 150 N -2.42 2.28 -0.38 2.80 0.00 0.69 -3.81 120.51 119.67 3i8i n ALA 150 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.58 3i8i n ALA 150 Cb 0.38 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 3i8i n ALA 150 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i8i n ILE 151 N -0.46 1.36 -1.41 0.00 2.08 0.01 -4.72 119.36 116.22 3i8i n ILE 151 Ca 0.00 -0.46 0.04 0.00 0.56 0.00 0.00 62.75 62.89 3i8i n ILE 151 Cb 0.01 -1.43 -0.02 0.00 -0.75 0.00 0.00 39.64 37.45 3i8i n ILE 151 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 3i8i n ARG 152 N 1.97 -3.59 0.00 0.38 1.85 -1.25 -5.02 116.66 111.00 3i8i n ARG 152 Ca 0.07 2.82 0.00 0.00 -1.00 0.00 0.00 57.85 59.74 3i8i n ARG 152 Cb 0.37 -3.64 0.00 0.00 -1.05 0.00 0.00 32.46 28.14 3i8i n ARG 152 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3i8i n LYS 153 N -2.93 -1.05 -1.92 2.89 4.01 -1.26 -4.65 118.16 113.25 3i8i n LYS 153 Ca -0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 3i8i n LYS 153 Cb 0.49 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.01 3i8i n LYS 153 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 3i8i n PRO 154 N -1.70 -0.57 0.00 1.97 -0.02 -1.18 -4.77 135.00 128.74 3i8i n PRO 154 Ca 0.00 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3i8i n PRO 154 Cb 0.00 -0.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 3i8i n PRO 154 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i8i n SER 155 N 1.74 0.00 -4.05 2.55 2.88 -1.26 -5.06 113.62 110.41 3i8i n SER 155 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 3i8i n SER 155 Cb 0.10 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.61 3i8i n SER 155 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i8i n ALA 156 N 0.00 -5.55 0.53 -1.46 0.00 -1.26 -4.88 120.51 107.89 3i8i n ALA 156 Ca 0.00 -1.36 0.09 0.00 0.00 0.00 0.00 53.44 52.17 3i8i n ALA 156 Cb 0.00 -0.92 0.11 0.00 0.00 0.00 0.00 19.45 18.64 3i8i n ALA 156 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i8i n TYR 157 N -3.63 0.16 -2.71 0.00 4.01 -1.26 -4.73 117.16 109.00 3i8i n TYR 157 Ca -0.02 -0.11 -0.07 0.00 -0.16 0.00 0.00 57.90 57.55 3i8i n TYR 157 Cb 0.73 -0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.85 3i8i n TYR 157 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01 3i8i n HIS 158 N 1.04 -1.97 -3.34 -0.72 1.44 -1.26 -4.69 115.22 105.71 3i8i n HIS 158 Ca 0.12 -1.47 -0.15 0.00 -2.01 0.00 0.00 57.72 54.21 3i8i n HIS 158 Cb 0.47 1.42 0.01 0.00 0.12 0.00 0.00 29.99 32.01 3i8i n HIS 158 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3i8i n GLU 159 N 0.82 -1.64 -3.85 -1.40 1.02 -1.26 -5.03 120.64 109.30 3i8i n GLU 159 Ca 0.03 1.33 -0.12 0.00 -0.02 0.00 0.00 57.16 58.37 3i8i n GLU 159 Cb 0.70 -4.04 -0.14 0.00 -0.02 0.00 0.00 31.44 27.95 3i8i n GLU 159 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3i8i s LYS 160 N -3.53 0.06 0.00 3.49 -0.14 -1.25 -4.50 119.74 113.86 3i8i s LYS 160 Ca 0.09 0.09 0.00 0.00 -1.36 0.00 0.00 55.97 54.79 3i8i s LYS 160 Cb -0.02 0.01 0.00 0.00 -1.68 0.00 0.00 37.83 36.15 3i8i s LYS 160 CO 0.82 -0.02 0.00 0.41 -0.76 0.00 0.00 175.35 175.80 3i8i n GLY 161 N 3.13 0.74 3.55 -3.33 0.00 0.25 -3.08 105.19 106.45 3i8i n GLY 161 Ca -0.13 -2.16 -0.38 0.00 0.00 0.00 0.00 46.02 43.35 3i8i n GLY 161 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8i s ILE 162 N -1.17 3.66 0.05 -0.61 1.01 -1.25 -3.13 121.20 119.77 3i8i s ILE 162 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.58 3i8i s ILE 162 Cb 0.00 -4.63 0.01 0.00 0.01 0.00 0.00 42.46 37.85 3i8i s ILE 162 CO 0.00 -1.56 0.07 -1.22 0.00 0.00 0.00 174.94 172.23 3i8i n TYR 163 N 10.57 -3.61 -4.41 3.97 4.02 0.69 -4.37 117.16 124.01 3i8i n TYR 163 Ca 0.20 -0.09 -0.25 0.00 -0.01 0.00 0.00 57.90 57.75 3i8i n TYR 163 Cb 0.50 -0.05 -0.11 0.00 -0.02 0.00 0.00 39.34 39.65 3i8i n TYR 163 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3i8i s TYR 164 N -0.46 2.18 -0.94 -0.72 2.02 -1.26 -2.12 117.35 116.04 3i8i s TYR 164 Ca 0.04 -0.38 -0.16 0.00 -0.37 0.00 0.00 57.07 56.20 3i8i s TYR 164 Cb -0.00 -1.04 -0.10 0.00 -0.40 0.00 0.00 41.96 40.42 3i8i s TYR 164 CO 0.03 0.51 2.06 0.00 -1.57 0.00 0.00 175.55 176.58 3i8i n ALA 165 N 0.03 4.17 -2.00 3.71 0.00 -1.26 -4.28 120.51 120.88 3i8i n ALA 165 Ca -0.11 -3.07 0.00 0.00 0.00 0.00 0.00 53.44 50.27 3i8i n ALA 165 Cb 0.57 -3.45 0.00 0.00 0.00 0.00 0.00 19.45 16.57 3i8i n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8i n GLY 166 N 4.23 -0.28 0.00 0.00 0.00 -1.26 -5.05 105.19 102.82 3i8i n GLY 166 Ca 0.50 0.59 0.00 0.00 0.00 0.00 0.00 46.02 47.10 3i8i n GLY 166 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i8i n GLU 167 N 0.00 0.00 -0.05 1.61 0.28 -1.26 -4.96 120.64 116.26 3i8i n GLU 167 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.99 3i8i n GLU 167 Cb 0.00 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 32.87 3i8i n GLU 167 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 3i8i h PRO 168 N 1.04 0.00 -3.45 3.44 0.13 -2.01 -3.46 132.00 127.70 3i8i h PRO 168 Ca 0.00 0.00 0.36 0.00 -0.87 0.00 0.00 66.00 65.49 3i8i h PRO 168 Cb 0.00 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 30.95 3i8i h PRO 168 CO 0.00 0.00 -1.14 1.55 -0.23 0.00 0.00 178.00 178.18 3i8i n VAL 169 N -4.54 -0.60 0.00 1.56 3.14 -1.26 -5.02 118.33 111.61 3i8i n VAL 169 Ca -0.02 0.78 0.00 0.00 -2.96 0.00 0.00 64.34 62.14 3i8i n VAL 169 Cb 0.08 -1.27 0.00 0.00 -1.06 0.00 0.00 33.84 31.59 3i8i n VAL 169 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3i8i n ARG 170 N -4.33 0.24 0.00 1.45 5.12 -1.26 -5.04 116.66 112.84 3i8i n ARG 170 Ca -0.07 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 55.91 3i8i n ARG 170 Cb 0.68 0.00 0.38 0.00 -1.16 0.00 0.00 32.46 32.36 3i8i n ARG 170 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59