#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pns n ARG 3 N 0.00 1.33 0.00 1.61 5.12 -1.26 -4.71 116.66 118.75 1pns n ARG 3 Ca 0.00 0.40 0.00 0.00 -1.93 0.00 0.00 57.85 56.32 1pns n ARG 3 Cb 0.00 -2.54 0.00 0.00 -1.16 0.00 0.00 32.46 28.76 1pns n ARG 3 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 1pns n TYR 4 N 9.25 0.00 -2.14 -1.55 9.36 -1.26 -4.89 117.16 125.94 1pns n TYR 4 Ca 0.36 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.57 1pns n TYR 4 Cb 0.25 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.95 1pns n TYR 4 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1pns n ILE 5 N 0.00 -7.87 0.00 2.97 5.41 -1.26 -5.09 119.36 113.52 1pns n ILE 5 Ca 0.00 1.21 0.00 0.00 1.00 0.00 0.00 62.75 64.96 1pns n ILE 5 Cb 0.00 -5.45 0.00 0.00 -0.71 0.00 0.00 39.64 33.48 1pns n ILE 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pns n GLY 6 N 0.59 -0.05 3.52 7.39 0.00 -1.26 -5.11 105.19 110.27 1pns n GLY 6 Ca -0.09 -1.03 -0.58 0.00 0.00 0.00 0.00 46.02 44.32 1pns n GLY 6 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pns n PRO 7 N -0.36 0.21 -0.05 1.61 -0.04 -1.26 -4.86 135.00 130.25 1pns n PRO 7 Ca 0.00 0.07 -0.06 0.00 -0.04 0.00 0.00 63.50 63.47 1pns n PRO 7 Cb 0.00 -1.60 -0.07 0.00 -0.04 0.00 0.00 33.50 31.79 1pns n PRO 7 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1pns n VAL 8 N 1.74 0.68 0.55 0.52 0.31 -1.26 -4.40 118.33 116.47 1pns n VAL 8 Ca 0.20 -0.36 0.05 0.00 -0.01 0.00 0.00 64.34 64.22 1pns n VAL 8 Cb 0.10 -0.81 0.29 0.00 -0.91 0.00 0.00 33.84 32.51 1pns n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pns h ARG 10 N 0.00 0.00 0.06 0.00 0.11 -1.94 -2.77 114.38 109.84 1pns h ARG 10 Ca 0.00 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.89 1pns h ARG 10 Cb 0.08 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.18 1pns h ARG 10 CO 0.00 0.37 -0.80 -0.07 0.10 0.00 0.00 179.97 179.57 1pns h LEU 11 N 0.00 0.60 -0.64 0.08 3.38 -1.30 -1.71 115.31 115.71 1pns h LEU 11 Ca -0.03 -0.82 0.12 0.00 0.09 0.00 0.00 57.88 57.24 1pns h LEU 11 Cb 1.34 -0.19 -0.12 0.00 0.09 0.00 0.00 40.66 41.78 1pns h LEU 11 CO 0.05 1.36 -0.25 0.00 0.09 0.00 0.00 178.44 179.69 1pns h ARG 13 N -0.08 0.46 -0.51 0.00 3.08 -1.41 -2.65 114.38 113.27 1pns h ARG 13 Ca 0.29 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 1pns h ARG 13 Cb 0.53 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1pns h ARG 13 CO -0.70 0.46 0.29 -0.09 -1.07 0.00 0.00 179.97 178.86 1pns h ARG 14 N 0.36 0.69 -0.05 0.04 9.65 -0.51 0.11 114.38 124.67 1pns h ARG 14 Ca 0.11 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1pns h ARG 14 Cb 0.16 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1pns h ARG 14 CO -0.01 0.50 0.00 0.39 2.80 0.00 0.00 179.97 183.65 1pns n GLU 15 N -4.42 1.30 -1.07 0.20 4.71 -0.58 -4.86 120.64 115.92 1pns n GLU 15 Ca 0.04 -0.45 -0.07 0.00 -0.01 0.00 0.00 57.16 56.68 1pns n GLU 15 Cb 0.09 -1.38 -0.03 0.00 -1.01 0.00 0.00 31.44 29.10 1pns n GLU 15 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1pns n GLY 16 N 0.98 0.63 3.02 0.62 0.00 0.39 -4.86 105.19 105.97 1pns n GLY 16 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 1pns n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pns s VAL 17 N -1.44 0.45 0.26 1.61 1.01 -1.07 -5.02 120.40 116.20 1pns s VAL 17 Ca 0.00 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 1pns s VAL 17 Cb 0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 36.38 35.79 1pns s VAL 17 CO 0.00 -0.25 1.47 -0.75 0.00 0.00 0.00 175.10 175.57 1pns s LYS 18 N -1.15 4.23 -0.07 2.72 2.20 -1.26 -4.54 119.74 121.88 1pns s LYS 18 Ca -0.07 2.36 0.02 0.00 -0.36 0.00 0.00 55.97 57.92 1pns s LYS 18 Cb -0.08 -3.09 0.02 0.00 -1.51 0.00 0.00 37.83 33.17 1pns s LYS 18 CO 0.00 -0.47 -0.11 -0.51 -0.36 0.00 0.00 175.35 173.91 1pns s LEU 19 N -0.43 1.54 -1.24 5.43 1.43 -1.26 -5.04 118.68 119.10 1pns s LEU 19 Ca 0.60 -0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 53.32 1pns s LEU 19 Cb -0.43 -0.78 0.18 0.00 0.03 0.00 0.00 46.19 45.19 1pns s LEU 19 CO 0.45 0.00 1.72 -1.22 0.23 0.00 0.00 176.35 177.53 1pns n TYR 20 N 4.00 3.44 -0.57 0.29 0.53 -1.26 -4.64 117.16 118.94 1pns n TYR 20 Ca -0.22 -2.94 0.07 0.00 -1.02 0.00 0.00 57.90 53.80 1pns n TYR 20 Cb 0.51 -1.94 0.35 0.00 -1.03 0.00 0.00 39.34 37.23 1pns n TYR 20 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 1pns n LEU 21 N 4.05 4.89 0.00 7.72 4.77 -1.26 -4.10 117.00 133.07 1pns n LEU 21 Ca 0.38 -2.48 0.00 0.00 -0.03 0.00 0.00 56.01 53.88 1pns n LEU 21 Cb 0.38 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1pns n LEU 21 CO 0.75 0.66 0.11 0.29 -1.33 0.00 0.00 177.39 177.88 1pns n LYS 22 N 0.77 0.00 0.00 3.23 5.02 -1.26 -4.82 118.16 121.10 1pns n LYS 22 Ca 0.24 -0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1pns n LYS 22 Cb 0.98 -0.28 0.00 0.00 -0.02 0.00 0.00 35.03 35.71 1pns n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pns n GLY 23 N 0.00 1.07 3.49 0.72 0.00 -1.23 -4.54 105.19 104.71 1pns n GLY 23 Ca 0.00 0.59 -0.28 0.00 0.00 0.00 0.00 46.02 46.33 1pns n GLY 23 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pns s GLU 24 N 0.00 -0.96 0.00 1.61 2.12 -1.26 -3.13 118.70 117.07 1pns s GLU 24 Ca 0.00 0.78 0.00 0.00 0.36 0.00 0.00 54.97 56.11 1pns s GLU 24 Cb 0.00 -1.55 0.00 0.00 0.26 0.00 0.00 34.13 32.84 1pns s GLU 24 CO 0.00 -3.74 0.00 -2.13 -0.54 0.00 0.00 175.26 168.85 1pns n ARG 25 N -4.92 0.00 0.00 4.30 0.63 -1.26 -4.59 116.66 110.81 1pns n ARG 25 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 1pns n ARG 25 Cb 0.55 -0.02 0.00 0.00 0.45 0.00 0.00 32.46 33.44 1pns n ARG 25 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1pns n TYR 27 N 0.48 -1.06 -1.56 0.00 4.02 -1.26 -4.79 117.16 112.99 1pns n TYR 27 Ca 0.00 0.19 -0.46 0.00 -0.01 0.00 0.00 57.90 57.62 1pns n TYR 27 Cb 0.01 0.30 -0.04 0.00 -0.02 0.00 0.00 39.34 39.58 1pns n TYR 27 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1pns n SER 28 N -3.33 2.97 -0.12 7.72 3.41 0.20 -4.50 113.62 119.97 1pns n SER 28 Ca 0.00 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1pns n SER 28 Cb 0.06 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 62.56 1pns n SER 28 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1pns n PRO 29 N 8.36 0.00 0.00 4.33 -0.02 -1.26 -3.86 135.00 142.55 1pns n PRO 29 Ca 0.32 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1pns n PRO 29 Cb 0.37 -0.03 0.00 0.00 -0.02 0.00 0.00 33.50 33.81 1pns n PRO 29 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1pns n LYS 30 N 0.09 0.00 0.00 -0.52 5.02 -1.26 -4.87 118.16 116.62 1pns n LYS 30 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 1pns n LYS 30 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.10 1pns n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pns n ALA 32 N -0.97 0.00 0.62 0.00 0.00 -1.26 -4.59 120.51 114.31 1pns n ALA 32 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.51 1pns n ALA 32 Cb 0.01 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.76 1pns n ALA 32 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1pns n MET 33 N 0.00 0.29 -3.54 0.00 2.81 -1.26 -2.79 117.12 112.63 1pns n MET 33 Ca 0.00 0.03 -0.40 0.00 -1.81 0.00 0.00 57.70 55.52 1pns n MET 33 Cb 0.00 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 30.90 1pns n MET 33 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1pns s GLU 34 N -2.09 3.50 -1.41 0.03 2.56 -1.26 -4.23 118.70 115.79 1pns s GLU 34 Ca 0.15 -0.64 -0.07 0.00 0.00 0.00 0.00 54.97 54.41 1pns s GLU 34 Cb 0.07 -3.78 0.04 0.00 2.00 0.00 0.00 34.13 32.46 1pns s GLU 34 CO 0.13 -0.43 0.87 0.54 -0.56 0.00 0.00 175.26 175.80 1pns n ARG 35 N 5.09 -5.43 0.00 4.30 1.74 -1.26 -4.77 116.66 116.33 1pns n ARG 35 Ca -0.13 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 1pns n ARG 35 Cb 0.50 -5.38 0.00 0.00 -1.02 0.00 0.00 32.46 26.56 1pns n ARG 35 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1pns n ARG 36 N -4.51 0.00 0.00 5.56 0.63 -1.12 -5.04 116.66 112.18 1pns n ARG 36 Ca -0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 1pns n ARG 36 Cb 0.60 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.51 1pns n ARG 36 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1pns n PRO 37 N 0.00 0.58 -3.53 -0.14 -0.02 -1.25 -4.56 135.00 126.07 1pns n PRO 37 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 1pns n PRO 37 Cb 0.00 -1.10 -0.05 0.00 -0.02 0.00 0.00 33.50 32.33 1pns n PRO 37 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1pns s TYR 38 N -1.65 3.48 0.65 6.00 -0.85 -1.26 -4.54 117.35 119.19 1pns s TYR 38 Ca 0.00 0.76 -0.17 0.00 -0.52 0.00 0.00 57.07 57.13 1pns s TYR 38 Cb 0.00 -2.16 -0.06 0.00 0.38 0.00 0.00 41.96 40.12 1pns s TYR 38 CO 0.00 0.39 0.55 -0.35 -1.52 0.00 0.00 175.55 174.62 1pns n PRO 39 N 0.20 0.43 -1.12 -3.49 -0.04 -1.23 -4.76 135.00 124.99 1pns n PRO 39 Ca -0.03 0.18 -0.29 0.00 -0.04 0.00 0.00 63.50 63.32 1pns n PRO 39 Cb 0.52 -1.80 0.16 0.00 -0.04 0.00 0.00 33.50 32.34 1pns n PRO 39 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1pns s PRO 40 N -2.47 0.81 0.00 0.54 0.04 -1.26 -3.88 135.00 128.78 1pns s PRO 40 Ca 0.68 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1pns s PRO 40 Cb -0.39 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1pns s PRO 40 CO 0.56 -2.53 0.00 0.41 0.04 0.00 0.00 177.00 175.48 1pns n GLY 41 N -0.92 0.51 0.17 0.56 0.00 -1.26 -4.03 105.19 100.22 1pns n GLY 41 Ca 0.06 -1.78 0.06 0.00 0.00 0.00 0.00 46.02 44.36 1pns n GLY 41 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1pns h GLN 42 N 0.00 0.00 0.00 1.61 4.15 -2.05 -1.56 115.11 117.26 1pns h GLN 42 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1pns h GLN 42 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1pns h GLN 42 CO 0.00 0.00 -0.43 0.72 -1.93 0.00 0.00 178.83 177.19 1pns n HIS 43 N -2.01 0.00 -0.23 3.99 8.25 -1.26 -4.79 115.22 119.17 1pns n HIS 43 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1pns n HIS 43 Cb 0.41 -0.02 0.24 0.00 1.12 0.00 0.00 29.99 31.74 1pns n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pns n GLY 44 N 1.26 -0.82 0.17 -1.41 0.00 -0.59 -0.20 105.19 103.61 1pns n GLY 44 Ca 0.01 0.63 0.13 0.00 0.00 0.00 0.00 46.02 46.79 1pns n GLY 44 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1pns h GLN 45 N 0.00 0.00 -7.21 1.61 4.20 -1.83 -3.39 115.11 108.49 1pns h GLN 45 Ca 0.44 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.63 1pns h GLN 45 Cb 0.98 0.00 0.14 0.00 0.30 0.00 0.00 27.48 28.90 1pns h GLN 45 CO -0.60 0.00 0.36 0.15 -0.67 0.00 0.00 178.83 178.07 1pns s LYS 46 N -3.22 2.30 0.36 1.46 1.02 0.72 -4.96 119.74 117.42 1pns s LYS 46 Ca 0.08 1.53 -0.28 0.00 0.02 0.00 0.00 55.97 57.31 1pns s LYS 46 Cb 0.09 -1.88 -0.11 0.00 -0.52 0.00 0.00 37.83 35.41 1pns s LYS 46 CO 0.61 -1.67 1.43 0.50 -0.92 0.00 0.00 175.35 175.30 1pns s ARG 47 N -4.17 4.19 0.10 1.68 3.52 -1.26 -5.01 118.95 118.01 1pns s ARG 47 Ca 0.69 2.45 -0.16 0.00 -0.13 0.00 0.00 55.73 58.58 1pns s ARG 47 Cb -0.24 -3.00 -0.07 0.00 -1.56 0.00 0.00 34.95 30.08 1pns s ARG 47 CO 0.46 -0.42 0.54 0.00 -0.81 0.00 0.00 175.30 175.07 1pns s ALA 48 N -1.10 3.60 0.32 6.12 0.00 -1.26 -5.08 121.76 124.36 1pns s ALA 48 Ca 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.38 1pns s ALA 48 Cb -0.44 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 1pns s ALA 48 CO 0.59 0.44 0.54 1.03 0.00 0.00 0.00 175.76 178.36 1pns s ARG 49 N -1.53 3.52 -0.43 0.00 0.52 -1.26 -4.99 118.95 114.78 1pns s ARG 49 Ca 0.33 -0.26 -0.30 0.00 -0.52 0.00 0.00 55.73 54.97 1pns s ARG 49 Cb -0.17 -2.67 -0.10 0.00 0.52 0.00 0.00 34.95 32.53 1pns s ARG 49 CO 0.18 0.18 2.32 -2.13 0.02 0.00 0.00 175.30 175.87 1pns n ARG 50 N -1.53 1.16 -1.55 3.54 0.00 -1.26 -4.90 116.66 112.12 1pns n ARG 50 Ca -0.04 0.23 -0.37 0.00 -0.00 0.00 0.00 57.85 57.67 1pns n ARG 50 Cb 0.55 -2.83 0.07 0.00 0.00 0.00 0.00 32.46 30.25 1pns n ARG 50 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1pns n PRO 51 N 8.61 0.78 -2.52 -0.14 -0.02 -1.26 -5.00 135.00 135.45 1pns n PRO 51 Ca 0.40 0.32 -0.30 0.00 -2.02 0.00 0.00 63.50 61.90 1pns n PRO 51 Cb 0.35 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 1pns n PRO 51 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1pns s SER 52 N -1.42 6.42 0.35 2.55 1.04 -1.26 -4.84 113.70 116.54 1pns s SER 52 Ca 0.77 1.22 0.13 0.00 0.48 0.00 0.00 55.95 58.55 1pns s SER 52 Cb -0.38 -2.37 0.95 0.00 0.10 0.00 0.00 66.02 64.32 1pns s SER 52 CO 0.46 -0.57 1.77 0.44 0.98 0.00 0.00 173.24 176.32 1pns h ASP 53 N 0.63 0.59 0.71 7.02 5.19 -2.00 0.19 116.42 128.75 1pns h ASP 53 Ca -0.46 0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.01 1pns h ASP 53 Cb 1.19 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.71 1pns h ASP 53 CO 0.62 0.14 -0.34 0.22 -3.12 0.00 0.00 179.24 176.77 1pns h TYR 54 N 0.54 -0.88 -0.82 4.55 3.20 -1.99 -1.74 116.97 119.82 1pns h TYR 54 Ca 0.60 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.62 1pns h TYR 54 Cb 1.26 0.29 -0.15 0.00 1.54 0.00 0.00 36.73 39.67 1pns h TYR 54 CO -0.00 -0.53 -0.16 0.00 -1.64 0.00 0.00 178.16 175.83 1pns h ALA 55 N -0.84 0.62 0.25 1.82 0.00 -1.09 1.09 119.26 121.11 1pns h ALA 55 Ca -0.10 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1pns h ALA 55 Cb 0.75 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1pns h ALA 55 CO 0.16 -0.42 -0.12 0.28 0.00 0.00 0.00 179.25 179.15 1pns h VAL 56 N 0.01 0.77 -0.49 0.00 2.07 -0.81 0.29 116.25 118.09 1pns h VAL 56 Ca 0.41 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.82 1pns h VAL 56 Cb 0.66 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1pns h VAL 56 CO -0.83 0.02 0.15 0.03 0.02 0.00 0.00 177.57 176.96 1pns h ARG 57 N -0.37 0.73 0.80 1.57 -0.00 -0.20 -0.05 114.38 116.85 1pns h ARG 57 Ca -0.03 -0.12 -0.04 0.00 -0.50 0.00 0.00 59.98 59.28 1pns h ARG 57 Cb 0.29 -0.12 0.01 0.00 0.00 0.00 0.00 29.97 30.14 1pns h ARG 57 CO 0.06 0.64 -0.38 1.25 0.00 0.00 0.00 179.97 181.53 1pns h LEU 58 N 0.71 -0.90 -1.22 3.04 7.12 0.15 -2.47 115.31 121.75 1pns h LEU 58 Ca 0.17 0.03 0.21 0.00 0.13 0.00 0.00 57.88 58.41 1pns h LEU 58 Cb 0.22 0.23 -0.09 0.00 -0.53 0.00 0.00 40.66 40.49 1pns h LEU 58 CO -0.01 -0.57 0.62 0.03 -0.13 0.00 0.00 178.44 178.38 1pns h ARG 59 N -1.22 0.58 -0.21 1.25 2.47 -0.20 -1.51 114.38 115.53 1pns h ARG 59 Ca -0.11 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.56 1pns h ARG 59 Cb 0.82 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 29.00 1pns h ARG 59 CO 0.18 0.38 0.06 1.49 0.56 0.00 0.00 179.97 182.64 1pns h GLU 60 N 0.60 0.34 -0.05 0.04 4.57 -0.88 -2.23 114.58 116.97 1pns h GLU 60 Ca 0.55 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.65 1pns h GLU 60 Cb 1.09 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.63 1pns h GLU 60 CO -0.31 0.45 0.03 -0.22 -1.18 0.00 0.00 179.01 177.78 1pns h LYS 61 N 0.17 0.07 -0.97 1.92 3.64 -0.84 -2.25 116.57 118.32 1pns h LYS 61 Ca 0.07 -0.01 0.22 0.00 -1.27 0.00 0.00 60.65 59.66 1pns h LYS 61 Cb 0.26 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.98 1pns h LYS 61 CO -0.00 0.12 0.62 1.96 -2.27 0.00 0.00 179.45 179.88 1pns h GLN 62 N 0.00 0.47 0.00 1.90 1.08 -1.27 0.65 115.11 117.95 1pns h GLN 62 Ca 0.02 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1pns h GLN 62 Cb 0.07 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 1pns h GLN 62 CO -0.00 0.31 0.00 1.17 -0.95 0.00 0.00 178.83 179.36 1pns n LYS 63 N -4.59 0.00 -0.37 1.46 4.81 -0.84 -0.32 118.16 118.30 1pns n LYS 63 Ca 0.22 0.25 0.32 0.00 -0.87 0.00 0.00 58.31 58.23 1pns n LYS 63 Cb 0.72 -1.09 0.55 0.00 0.02 0.00 0.00 35.03 35.23 1pns n LYS 63 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1pns n LEU 64 N -1.26 0.20 -0.02 3.14 -0.00 -0.89 -0.40 117.00 117.78 1pns n LEU 64 Ca 0.00 1.21 -0.17 0.00 -0.00 0.00 0.00 56.01 57.05 1pns n LEU 64 Cb 0.00 -0.59 -0.13 0.00 -0.00 0.00 0.00 43.42 42.69 1pns n LEU 64 CO 0.00 -1.32 0.25 -0.09 -0.00 0.00 0.00 177.39 176.23 1pns h ARG 65 N 0.00 0.14 0.00 1.96 2.43 -0.83 -3.28 114.38 114.80 1pns h ARG 65 Ca 0.73 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.67 1pns h ARG 65 Cb 2.27 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.91 1pns h ARG 65 CO -0.44 1.09 0.00 0.00 -1.51 0.00 0.00 179.97 179.11 1pns h ARG 66 N -0.69 0.00 -0.42 0.20 3.08 0.22 -1.15 114.38 115.62 1pns h ARG 66 Ca -0.06 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 1pns h ARG 66 Cb 1.26 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.29 1pns h ARG 66 CO 0.07 0.00 -0.06 0.82 -1.07 0.00 0.00 179.97 179.73 1pns h ILE 67 N 0.00 1.24 -0.53 2.04 2.04 -1.30 -2.61 117.51 118.39 1pns h ILE 67 Ca 0.00 -1.05 -0.06 0.00 1.00 0.00 0.00 64.86 64.75 1pns h ILE 67 Cb 0.17 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1pns h ILE 67 CO 0.00 0.36 0.06 -1.22 0.00 0.00 0.00 178.15 177.35 1pns n TYR 68 N -4.20 1.87 -3.96 1.37 4.02 -0.46 -4.95 117.16 110.86 1pns n TYR 68 Ca 0.02 -0.91 -0.34 0.00 -0.01 0.00 0.00 57.90 56.66 1pns n TYR 68 Cb 0.32 -0.51 -0.06 0.00 -0.02 0.00 0.00 39.34 39.07 1pns n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pns n GLY 69 N 0.10 -0.32 3.79 2.72 0.00 -0.99 -4.89 105.19 105.61 1pns n GLY 69 Ca 0.30 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 1pns n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pns s ILE 70 N -2.84 4.62 0.45 -0.61 1.01 -1.22 -4.80 121.20 117.82 1pns s ILE 70 Ca 0.66 -0.72 -0.22 0.00 0.00 0.00 0.00 60.65 60.36 1pns s ILE 70 Cb -0.39 -3.23 -0.08 0.00 0.01 0.00 0.00 42.46 38.78 1pns s ILE 70 CO 0.83 0.13 1.11 -0.94 0.00 0.00 0.00 174.94 176.07 1pns s SER 71 N -2.39 6.31 0.16 3.58 1.04 -1.26 -4.78 113.70 116.37 1pns s SER 71 Ca 0.30 2.17 -0.16 0.00 0.48 0.00 0.00 55.95 58.73 1pns s SER 71 Cb -0.12 -2.59 0.10 0.00 0.10 0.00 0.00 66.02 63.51 1pns s SER 71 CO 0.22 -0.81 1.70 -0.08 0.98 0.00 0.00 173.24 175.25 1pns h GLU 72 N 2.02 0.09 -0.81 4.02 4.57 -1.99 0.12 114.58 122.60 1pns h GLU 72 Ca -0.49 -0.01 0.11 0.00 -1.18 0.00 0.00 59.36 57.79 1pns h GLU 72 Cb 1.24 -0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 29.68 1pns h GLU 72 CO 0.60 0.06 -0.46 -0.09 -1.18 0.00 0.00 179.01 177.94 1pns h ARG 73 N 0.09 -0.10 -0.32 1.92 9.65 -2.00 0.39 114.38 124.01 1pns h ARG 73 Ca 0.19 0.01 -0.16 0.00 -1.10 0.00 0.00 59.98 58.91 1pns h ARG 73 Cb 0.27 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.87 1pns h ARG 73 CO -0.32 -0.07 -0.44 1.96 2.80 0.00 0.00 179.97 183.89 1pns h GLN 74 N -0.11 0.86 0.09 0.20 4.20 -1.81 -3.06 115.11 115.49 1pns h GLN 74 Ca 0.22 -0.50 0.02 0.00 0.06 0.00 0.00 58.65 58.45 1pns h GLN 74 Cb 0.54 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 1pns h GLN 74 CO -0.84 1.14 -0.33 0.35 -0.67 0.00 0.00 178.83 178.48 1pns h PHE 75 N 0.64 -0.89 -0.51 2.96 3.57 0.46 -2.30 116.94 120.87 1pns h PHE 75 Ca 0.03 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.65 1pns h PHE 75 Cb 1.04 0.38 -0.08 0.00 2.79 0.00 0.00 35.95 40.08 1pns h PHE 75 CO 0.07 -0.43 0.03 -0.09 -2.23 0.00 0.00 178.31 175.66 1pns h ARG 76 N -0.54 0.14 -0.86 1.11 9.65 -0.32 -1.51 114.38 122.05 1pns h ARG 76 Ca 0.04 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1pns h ARG 76 Cb 0.58 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.08 1pns h ARG 76 CO -0.21 0.09 0.56 -0.91 2.80 0.00 0.00 179.97 182.30 1pns h ASN 77 N 0.15 0.99 -0.20 -3.80 2.35 -1.39 0.85 115.58 114.52 1pns h ASN 77 Ca 0.26 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1pns h ASN 77 Cb 0.38 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1pns h ASN 77 CO -0.40 0.73 0.12 -0.07 -1.65 0.00 0.00 177.43 176.16 1pns h LEU 78 N 1.17 0.24 0.07 1.61 3.38 -0.75 -0.73 115.31 120.30 1pns h LEU 78 Ca 0.31 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.25 1pns h LEU 78 Cb -0.12 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1pns h LEU 78 CO -0.07 0.22 -0.15 0.15 0.09 0.00 0.00 178.44 178.69 1pns h PHE 79 N 0.24 -0.38 0.00 1.13 3.57 -0.43 0.31 116.94 121.39 1pns h PHE 79 Ca 0.07 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1pns h PHE 79 Cb 0.02 0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1pns h PHE 79 CO -0.05 -0.22 0.00 0.93 -2.23 0.00 0.00 178.31 176.74 1pns h GLU 80 N -0.28 0.00 0.15 1.11 4.39 -0.70 0.39 114.58 119.64 1pns h GLU 80 Ca 0.03 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.51 1pns h GLU 80 Cb 0.30 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1pns h GLU 80 CO -0.09 0.00 -0.97 1.49 -1.16 0.00 0.00 179.01 178.27 1pns h GLU 81 N 0.00 0.31 0.00 2.33 4.81 0.31 -3.18 114.58 119.16 1pns h GLU 81 Ca 0.00 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1pns h GLU 81 Cb 0.12 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1pns h GLU 81 CO 0.00 1.26 0.00 0.00 -0.73 0.00 0.00 179.01 179.54 1pns n ALA 82 N -2.72 1.82 -0.01 2.92 0.00 0.96 -2.46 120.51 121.02 1pns n ALA 82 Ca -0.16 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.09 1pns n ALA 82 Cb 0.86 -1.26 -0.14 0.00 0.00 0.00 0.00 19.45 18.91 1pns n ALA 82 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1pns h SER 83 N 0.00 0.12 0.10 0.00 0.02 -0.98 -3.39 113.55 109.43 1pns h SER 83 Ca 0.00 -0.27 -0.16 0.00 -0.84 0.00 0.00 61.79 60.52 1pns h SER 83 Cb 0.20 -0.04 0.02 0.00 0.14 0.00 0.00 62.40 62.72 1pns h SER 83 CO 0.00 1.24 -0.70 0.11 -1.14 0.00 0.00 176.83 176.33 1pns h LYS 84 N 0.02 0.30 -7.03 3.45 1.57 -1.46 -3.46 116.57 109.95 1pns h LYS 84 Ca -0.31 -0.46 -0.55 0.00 -1.87 0.00 0.00 60.65 57.46 1pns h LYS 84 Cb 2.02 0.16 0.13 0.00 0.08 0.00 0.00 32.23 34.62 1pns h LYS 84 CO 0.09 1.19 0.65 0.15 -0.57 0.00 0.00 179.45 180.95 1pns s LYS 85 N -2.59 3.31 0.93 3.15 1.02 -1.05 -4.95 119.74 119.55 1pns s LYS 85 Ca -0.14 2.32 -0.12 0.00 0.02 0.00 0.00 55.97 58.05 1pns s LYS 85 Cb 0.01 -2.39 0.08 0.00 -0.52 0.00 0.00 37.83 35.01 1pns s LYS 85 CO 0.82 -1.09 0.73 1.63 -0.92 0.00 0.00 175.35 176.52 1pns n LYS 86 N -0.76 -0.33 0.00 1.68 5.02 -1.26 -4.84 118.16 117.67 1pns n LYS 86 Ca 0.09 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1pns n LYS 86 Cb 0.44 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 1pns n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pns n GLY 87 N 0.99 -0.49 2.16 0.72 0.00 -1.26 -4.86 105.19 102.44 1pns n GLY 87 Ca 0.09 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 1pns n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pns n VAL 88 N 0.32 0.00 -0.26 1.61 0.31 -1.26 -4.74 118.33 114.32 1pns n VAL 88 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1pns n VAL 88 Cb 0.00 -0.32 0.02 0.00 -0.91 0.00 0.00 33.84 32.63 1pns n VAL 88 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1pns h THR 89 N 4.82 0.12 -0.39 2.52 2.02 -1.88 -1.73 112.91 118.38 1pns h THR 89 Ca -0.05 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.17 1pns h THR 89 Cb 0.86 0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 1pns h THR 89 CO 0.80 0.00 -0.23 0.61 0.37 0.00 0.00 175.52 177.07 1pns n GLY 90 N -1.45 -2.34 0.11 2.16 0.00 -1.26 -0.53 105.19 101.89 1pns n GLY 90 Ca 0.06 0.71 -0.13 0.00 0.00 0.00 0.00 46.02 46.66 1pns n GLY 90 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pns h SER 91 N 0.00 0.28 -1.01 1.61 4.64 -1.83 -2.87 113.55 114.36 1pns h SER 91 Ca 0.06 -0.45 0.31 0.00 -0.47 0.00 0.00 61.79 61.24 1pns h SER 91 Cb 0.16 -0.08 -0.14 0.00 -0.31 0.00 0.00 62.40 62.03 1pns h SER 91 CO -0.36 0.67 0.59 0.58 -0.87 0.00 0.00 176.83 177.44 1pns h VAL 92 N -0.11 0.35 0.33 0.95 2.07 -0.65 0.49 116.25 119.67 1pns h VAL 92 Ca 0.02 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1pns h VAL 92 Cb 0.58 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1pns h VAL 92 CO 0.02 0.07 -0.16 0.15 0.02 0.00 0.00 177.57 177.67 1pns h PHE 93 N 0.37 -0.41 -0.50 1.57 -0.00 -0.66 -2.41 116.94 114.90 1pns h PHE 93 Ca 0.72 -0.01 0.03 0.00 -0.00 0.00 0.00 57.97 58.71 1pns h PHE 93 Cb 1.61 0.14 -0.03 0.00 -0.00 0.00 0.00 35.95 37.67 1pns h PHE 93 CO -0.01 -0.21 0.33 -0.07 -0.00 0.00 0.00 178.31 178.35 1pns h LEU 94 N -0.51 0.48 0.18 0.59 3.38 -0.01 -1.60 115.31 117.82 1pns h LEU 94 Ca -0.05 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1pns h LEU 94 Cb 0.38 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1pns h LEU 94 CO 0.07 0.33 -0.19 1.23 0.09 0.00 0.00 178.44 179.97 1pns h GLY 95 N 0.56 -0.40 1.45 0.83 0.00 -0.13 -1.19 103.07 104.19 1pns h GLY 95 Ca 0.20 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.77 1pns h GLY 95 CO -0.05 -0.18 0.34 1.41 0.00 0.00 0.00 176.54 178.05 1pns h LEU 96 N -0.41 0.55 -0.81 3.11 4.07 -0.92 -1.28 115.31 119.62 1pns h LEU 96 Ca 0.01 -0.01 -0.09 0.00 0.08 0.00 0.00 57.88 57.86 1pns h LEU 96 Cb 0.39 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.98 1pns h LEU 96 CO -0.06 0.39 -0.13 -0.07 -1.08 0.00 0.00 178.44 177.50 1pns h LEU 97 N 0.65 0.75 -0.01 1.67 3.38 -0.79 -2.65 115.31 118.30 1pns h LEU 97 Ca 0.20 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1pns h LEU 97 Cb -0.01 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1pns h LEU 97 CO -0.05 0.89 -0.01 1.21 0.09 0.00 0.00 178.44 180.58 1pns n GLU 98 N -4.16 0.29 -0.09 1.13 4.07 -0.50 -3.39 120.64 118.01 1pns n GLU 98 Ca 0.01 -0.01 0.12 0.00 -0.06 0.00 0.00 57.16 57.22 1pns n GLU 98 Cb 0.37 -1.50 0.33 0.00 -0.06 0.00 0.00 31.44 30.58 1pns n GLU 98 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1pns n SER 99 N -1.35 2.24 -4.70 4.31 7.64 -0.74 -4.35 113.62 116.67 1pns n SER 99 Ca 0.12 -1.78 -0.42 0.00 1.01 0.00 0.00 58.87 57.80 1pns n SER 99 Cb 0.28 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.33 1pns n SER 99 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1pns s ARG 100 N -1.78 4.30 0.25 1.43 0.52 -1.22 -0.02 118.95 122.44 1pns s ARG 100 Ca 0.34 2.00 -0.05 0.00 -0.52 0.00 0.00 55.73 57.50 1pns s ARG 100 Cb 0.20 -3.48 0.48 0.00 0.52 0.00 0.00 34.95 32.67 1pns s ARG 100 CO 0.29 -0.53 1.64 1.25 0.02 0.00 0.00 175.30 177.97 1pns h LEU 101 N 7.87 -0.27 -1.75 2.53 5.85 0.13 0.57 115.31 130.24 1pns h LEU 101 Ca -0.39 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1pns h LEU 101 Cb 1.19 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 42.54 1pns h LEU 101 CO 0.89 -0.17 -0.08 -2.24 -0.34 0.00 0.00 178.44 176.50 1pns h ASP 102 N 0.13 0.05 0.13 1.25 2.03 -1.78 -1.29 116.42 116.94 1pns h ASP 102 Ca 0.43 -0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.72 1pns h ASP 102 Cb 0.78 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.27 1pns h ASP 102 CO -0.66 0.14 -0.06 -1.13 -1.03 0.00 0.00 179.24 176.50 1pns h ASN 103 N 0.05 -0.15 -0.60 4.15 -1.24 -0.25 -3.10 115.58 114.44 1pns h ASN 103 Ca 0.01 -0.40 0.09 0.00 0.71 0.00 0.00 56.30 56.72 1pns h ASN 103 Cb 0.19 0.04 -0.11 0.00 0.73 0.00 0.00 38.32 39.17 1pns h ASN 103 CO 0.01 0.43 -0.41 0.58 -1.29 0.00 0.00 177.43 176.75 1pns h VAL 104 N -0.85 0.10 -0.77 2.57 2.07 -0.65 0.36 116.25 119.09 1pns h VAL 104 Ca -0.02 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.66 1pns h VAL 104 Cb 0.54 0.10 -0.15 0.00 -1.52 0.00 0.00 31.29 30.27 1pns h VAL 104 CO 0.03 0.00 -0.18 0.58 0.02 0.00 0.00 177.57 178.02 1pns h VAL 105 N -0.20 0.23 -0.09 2.57 2.07 -1.31 0.64 116.25 120.16 1pns h VAL 105 Ca 0.20 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.72 1pns h VAL 105 Cb 0.56 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1pns h VAL 105 CO -0.70 0.00 0.02 0.22 0.02 0.00 0.00 177.57 177.13 1pns h TYR 106 N 0.01 0.04 -0.83 1.57 3.20 -0.42 -2.22 116.97 118.31 1pns h TYR 106 Ca 0.38 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.37 1pns h TYR 106 Cb 0.58 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.79 1pns h TYR 106 CO -0.60 0.02 0.54 0.00 -1.64 0.00 0.00 178.16 176.48 1pns h ARG 107 N 0.06 0.65 -0.31 1.82 2.47 0.33 -1.69 114.38 117.70 1pns h ARG 107 Ca 0.04 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1pns h ARG 107 Cb 0.03 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.20 1pns h ARG 107 CO -0.05 0.43 0.00 1.28 0.56 0.00 0.00 179.97 182.19 1pns n LEU 108 N -4.52 1.19 0.00 3.04 4.77 0.18 -4.81 117.00 116.85 1pns n LEU 108 Ca 0.15 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1pns n LEU 108 Cb 0.41 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1pns n LEU 108 CO 0.31 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1pns n GLY 109 N 0.67 1.69 0.16 -0.72 0.00 -0.64 -4.88 105.19 101.47 1pns n GLY 109 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1pns n GLY 109 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1pns h PHE 110 N 0.00 0.05 -2.80 1.61 0.04 -1.74 -3.41 116.94 110.68 1pns h PHE 110 Ca 0.00 0.02 -0.59 0.00 2.80 0.00 0.00 57.97 60.21 1pns h PHE 110 Cb 0.00 0.03 -0.09 0.00 2.20 0.00 0.00 35.95 38.10 1pns h PHE 110 CO 0.00 -0.03 -0.60 0.00 -0.60 0.00 0.00 178.31 177.08 1pns s ALA 111 N -6.17 3.43 0.12 2.45 0.00 -1.25 -4.71 121.76 115.62 1pns s ALA 111 Ca -0.13 -1.26 -0.05 0.00 0.00 0.00 0.00 51.96 50.52 1pns s ALA 111 Cb 0.13 -1.23 -0.14 0.00 0.00 0.00 0.00 23.12 21.88 1pns s ALA 111 CO 0.71 0.51 1.26 0.28 0.00 0.00 0.00 175.76 178.52 1pns h VAL 112 N 2.24 1.41 -5.07 0.00 2.07 -1.92 -3.44 116.25 111.55 1pns h VAL 112 Ca -0.47 -2.57 -0.64 0.00 0.82 0.00 0.00 66.70 63.84 1pns h VAL 112 Cb 1.20 2.53 -0.13 0.00 -1.52 0.00 0.00 31.29 33.37 1pns h VAL 112 CO 0.61 0.76 -0.50 -1.54 0.02 0.00 0.00 177.57 176.93 1pns n SER 113 N -3.71 2.48 0.10 0.57 3.41 -1.26 -3.52 113.62 111.69 1pns n SER 113 Ca -0.07 -3.30 -0.14 0.00 -0.26 0.00 0.00 58.87 55.09 1pns n SER 113 Cb 0.88 0.69 -0.14 0.00 -0.26 0.00 0.00 64.21 65.38 1pns n SER 113 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1pns h ARG 114 N 0.00 0.23 0.58 4.33 3.08 -1.88 -2.70 114.38 118.02 1pns h ARG 114 Ca -0.39 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.24 1pns h ARG 114 Cb 1.31 0.14 0.01 0.00 0.08 0.00 0.00 29.97 31.50 1pns h ARG 114 CO 0.64 1.18 -0.28 0.00 -1.07 0.00 0.00 179.97 180.44 1pns h ARG 115 N 0.06 -0.75 -0.57 0.04 3.08 -1.94 -0.75 114.38 113.54 1pns h ARG 115 Ca -0.12 0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.10 1pns h ARG 115 Cb 1.94 0.17 -0.11 0.00 0.08 0.00 0.00 29.97 32.05 1pns h ARG 115 CO 0.19 -0.45 -0.22 0.37 -1.07 0.00 0.00 179.97 178.79 1pns h GLN 116 N -0.92 -0.08 -0.83 0.04 4.15 -1.96 0.31 115.11 115.82 1pns h GLN 116 Ca -0.08 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.43 1pns h GLN 116 Cb 0.64 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.28 1pns h GLN 116 CO 0.13 -0.05 0.49 0.00 -1.93 0.00 0.00 178.83 177.46 1pns h ALA 117 N 1.33 1.17 -0.53 3.38 0.00 -1.37 -0.11 119.26 123.13 1pns h ALA 117 Ca 0.26 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.29 1pns h ALA 117 Cb 0.49 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 1pns h ALA 117 CO -0.63 0.14 0.11 -0.09 0.00 0.00 0.00 179.25 178.78 1pns h ARG 118 N 0.84 0.24 -0.29 0.00 2.43 0.11 -0.25 114.38 117.46 1pns h ARG 118 Ca 0.39 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.49 1pns h ARG 118 Cb 0.31 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1pns h ARG 118 CO -0.22 0.16 -0.02 0.37 -1.51 0.00 0.00 179.97 178.75 1pns h GLN 119 N 0.24 0.52 -0.59 0.20 4.15 -0.30 0.41 115.11 119.74 1pns h GLN 119 Ca 0.27 -0.17 0.08 0.00 0.77 0.00 0.00 58.65 59.60 1pns h GLN 119 Cb 0.37 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.96 1pns h GLN 119 CO -0.35 0.68 0.25 -0.07 -1.93 0.00 0.00 178.83 177.41 1pns h LEU 120 N 0.31 0.28 -0.01 -2.39 3.38 -0.47 1.03 115.31 117.44 1pns h LEU 120 Ca 0.08 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1pns h LEU 120 Cb 0.46 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1pns h LEU 120 CO 0.02 0.18 0.01 0.58 0.09 0.00 0.00 178.44 179.31 1pns h VAL 121 N 0.45 1.09 0.39 1.22 2.07 -0.88 -1.44 116.25 119.15 1pns h VAL 121 Ca 0.29 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1pns h VAL 121 Cb 0.32 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1pns h VAL 121 CO -0.27 0.07 -0.39 0.03 0.02 0.00 0.00 177.57 177.03 1pns h ARG 122 N -0.09 -0.77 -0.57 1.57 2.47 0.54 -2.38 114.38 115.15 1pns h ARG 122 Ca 0.00 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1pns h ARG 122 Cb 0.11 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 1pns h ARG 122 CO -0.00 -0.52 0.00 0.72 0.56 0.00 0.00 179.97 180.73 1pns n HIS 123 N -5.49 0.00 0.00 3.04 8.25 0.34 -4.80 115.22 116.57 1pns n HIS 123 Ca -0.10 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1pns n HIS 123 Cb 0.39 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.44 1pns n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pns n GLY 124 N 0.25 2.09 0.15 -1.41 0.00 -0.89 -4.87 105.19 100.50 1pns n GLY 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pns n GLY 124 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pns n HIS 125 N -1.95 0.00 -4.30 1.61 8.25 -0.55 -4.71 115.22 113.58 1pns n HIS 125 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 1pns n HIS 125 Cb 0.00 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 1pns n HIS 125 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1pns s ILE 126 N -1.63 1.54 0.14 1.59 -1.09 -1.24 -1.69 121.20 118.81 1pns s ILE 126 Ca 0.00 -1.98 0.05 0.00 -2.23 0.00 0.00 60.65 56.48 1pns s ILE 126 Cb 0.00 -1.82 -0.04 0.00 -1.58 0.00 0.00 42.46 39.02 1pns s ILE 126 CO 0.00 -0.51 -0.11 -0.89 -1.23 0.00 0.00 174.94 172.20 1pns s THR 127 N -2.60 1.17 -0.35 2.92 2.01 0.63 -3.38 115.64 116.04 1pns s THR 127 Ca 0.16 -1.98 0.02 0.00 0.31 0.00 0.00 61.69 60.20 1pns s THR 127 Cb -0.02 -1.76 0.15 0.00 0.01 0.00 0.00 72.50 70.88 1pns s THR 127 CO 0.05 -0.69 0.34 -0.69 -0.69 0.00 0.00 174.62 172.94 1pns s VAL 128 N -3.09 -0.31 -0.78 3.82 1.01 -0.41 -3.27 120.40 117.37 1pns s VAL 128 Ca 0.15 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 1pns s VAL 128 Cb 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1pns s VAL 128 CO 0.01 -0.59 0.24 0.59 0.00 0.00 0.00 175.10 175.36 1pns n ASN 129 N 4.49 -3.70 0.00 3.32 3.02 -0.74 -3.89 115.26 117.76 1pns n ASN 129 Ca 0.08 -0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1pns n ASN 129 Cb 0.45 -2.66 0.00 0.00 -0.61 0.00 0.00 39.78 36.95 1pns n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pns n GLY 130 N -1.10 1.34 3.11 7.41 0.00 -1.26 -5.01 105.19 109.68 1pns n GLY 130 Ca -0.07 -0.62 -0.52 0.00 0.00 0.00 0.00 46.02 44.82 1pns n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pns n ARG 131 N 0.00 0.00 -2.65 1.61 3.00 -1.25 -4.75 116.66 112.61 1pns n ARG 131 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.85 57.51 1pns n ARG 131 Cb 0.00 -1.29 -0.06 0.00 0.00 0.00 0.00 32.46 31.12 1pns n ARG 131 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 1pns s ARG 132 N -0.10 4.12 -0.06 5.56 1.70 -1.26 -1.28 118.95 127.62 1pns s ARG 132 Ca 0.78 1.05 -0.01 0.00 -0.47 0.00 0.00 55.73 57.09 1pns s ARG 132 Cb -1.10 -2.16 0.03 0.00 -0.57 0.00 0.00 34.95 31.15 1pns s ARG 132 CO 0.51 -0.13 0.02 0.08 -1.08 0.00 0.00 175.30 174.70 1pns s VAL 133 N -2.36 0.21 -0.26 4.99 1.01 -1.22 -4.87 120.40 117.89 1pns s VAL 133 Ca 0.61 0.22 0.12 0.00 0.00 0.00 0.00 61.98 62.93 1pns s VAL 133 Cb -0.09 -0.39 0.62 0.00 0.00 0.00 0.00 36.38 36.51 1pns s VAL 133 CO 0.20 0.23 1.60 -0.90 0.00 0.00 0.00 175.10 176.23 1pns n ASP 134 N 5.12 4.00 -4.26 3.32 5.75 -1.25 -4.71 116.55 124.51 1pns n ASP 134 Ca -0.07 -3.27 -0.42 0.00 -0.01 0.00 0.00 54.79 51.02 1pns n ASP 134 Cb 0.50 -0.65 -0.08 0.00 -1.03 0.00 0.00 41.12 39.86 1pns n ASP 134 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1pns s LEU 135 N -2.99 5.65 0.46 -2.12 1.43 -1.26 -4.16 118.68 115.68 1pns s LEU 135 Ca 0.48 -1.74 0.18 0.00 -1.03 0.00 0.00 54.13 52.03 1pns s LEU 135 Cb 0.40 -2.06 1.15 0.00 0.03 0.00 0.00 46.19 45.71 1pns s LEU 135 CO 0.09 -0.68 1.97 -0.65 0.23 0.00 0.00 176.35 177.31 1pns h PRO 136 N 8.55 0.27 -0.08 1.29 0.11 -1.90 0.27 132.00 140.50 1pns h PRO 136 Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1pns h PRO 136 Cb 1.08 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1pns h PRO 136 CO 0.87 0.18 0.00 -1.13 -0.21 0.00 0.00 178.00 177.71 1pns n SER 137 N -4.45 0.58 -4.70 -2.05 3.41 -1.26 -2.75 113.62 102.40 1pns n SER 137 Ca 0.11 -1.70 -0.42 0.00 -0.26 0.00 0.00 58.87 56.60 1pns n SER 137 Cb 0.48 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 1pns n SER 137 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1pns s TYR 138 N -1.90 2.63 -0.47 7.33 5.04 0.94 -4.77 117.35 126.15 1pns s TYR 138 Ca 0.21 0.32 -0.23 0.00 -2.44 0.00 0.00 57.07 54.93 1pns s TYR 138 Cb 0.10 -4.05 0.03 0.00 0.35 0.00 0.00 41.96 38.40 1pns s TYR 138 CO 0.16 -4.11 0.78 0.50 -1.34 0.00 0.00 175.55 171.55 1pns s ARG 139 N 1.94 3.35 0.10 4.97 3.52 -1.26 0.61 118.95 132.18 1pns s ARG 139 Ca 0.75 -0.24 -0.31 0.00 -0.13 0.00 0.00 55.73 55.80 1pns s ARG 139 Cb -0.45 -3.98 -0.07 0.00 -1.56 0.00 0.00 34.95 28.90 1pns s ARG 139 CO 0.33 -1.19 1.26 0.08 -0.81 0.00 0.00 175.30 174.98 1pns s VAL 140 N 3.30 3.71 0.56 7.11 1.01 0.97 -4.96 120.40 132.10 1pns s VAL 140 Ca 0.28 1.25 0.06 0.00 0.00 0.00 0.00 61.98 63.57 1pns s VAL 140 Cb -0.13 -3.80 0.07 0.00 0.00 0.00 0.00 36.38 32.51 1pns s VAL 140 CO 0.21 0.11 0.77 -0.13 0.00 0.00 0.00 175.10 176.06 1pns s ARG 141 N 0.87 2.36 -0.02 2.72 0.52 -1.26 -4.85 118.95 119.30 1pns s ARG 141 Ca 0.60 -1.32 -0.30 0.00 -0.52 0.00 0.00 55.73 54.18 1pns s ARG 141 Cb -0.33 -2.60 -0.03 0.00 0.52 0.00 0.00 34.95 32.51 1pns s ARG 141 CO 0.31 -0.79 1.07 -2.14 0.02 0.00 0.00 175.30 173.77 1pns s PRO 142 N -4.68 4.47 0.00 3.54 0.02 -1.26 -3.76 135.00 133.33 1pns s PRO 142 Ca 0.60 1.54 0.00 0.00 0.02 0.00 0.00 61.00 63.16 1pns s PRO 142 Cb -0.07 -3.47 0.00 0.00 0.02 0.00 0.00 34.50 30.98 1pns s PRO 142 CO 0.38 -0.22 0.00 0.41 -0.33 0.00 0.00 177.00 177.24 1pns n GLY 143 N 3.09 0.85 3.10 0.52 0.00 0.29 -5.00 105.19 108.05 1pns n GLY 143 Ca 0.08 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1pns n GLY 143 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pns s ASP 144 N -1.84 1.98 -0.12 1.61 1.01 -1.25 -4.96 116.67 113.10 1pns s ASP 144 Ca 0.00 -0.33 -0.21 0.00 0.71 0.00 0.00 52.55 52.73 1pns s ASP 144 Cb 0.00 -0.63 -0.04 0.00 1.01 0.00 0.00 42.92 43.26 1pns s ASP 144 CO 0.00 0.12 0.60 -1.61 0.21 0.00 0.00 175.17 174.49 1pns s GLU 145 N 0.19 4.35 -0.68 8.23 2.02 -1.26 -2.13 118.70 129.42 1pns s GLU 145 Ca -0.06 0.66 0.01 0.00 0.02 0.00 0.00 54.97 55.60 1pns s GLU 145 Cb -0.12 -3.48 0.17 0.00 0.10 0.00 0.00 34.13 30.80 1pns s GLU 145 CO 0.02 0.02 0.48 0.42 0.02 0.00 0.00 175.26 176.23 1pns s ILE 146 N 1.02 3.33 0.39 -1.63 1.01 0.12 -1.79 121.20 123.66 1pns s ILE 146 Ca 0.31 -3.63 -0.01 0.00 0.00 0.00 0.00 60.65 57.32 1pns s ILE 146 Cb -0.16 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 1pns s ILE 146 CO 0.13 -0.94 0.62 0.00 0.00 0.00 0.00 174.94 174.76 1pns s ALA 147 N -0.80 3.63 0.18 9.38 0.00 -1.20 -3.79 121.76 129.15 1pns s ALA 147 Ca 0.21 -0.83 -0.24 0.00 0.00 0.00 0.00 51.96 51.11 1pns s ALA 147 Cb -0.14 -2.23 -0.08 0.00 0.00 0.00 0.00 23.12 20.67 1pns s ALA 147 CO -0.08 -0.15 0.75 0.08 0.00 0.00 0.00 175.76 176.37 1pns s VAL 148 N -2.45 4.44 0.16 0.00 1.01 -0.99 -0.27 120.40 122.30 1pns s VAL 148 Ca 0.43 1.57 -0.33 0.00 0.00 0.00 0.00 61.98 63.66 1pns s VAL 148 Cb -0.10 -4.05 -0.12 0.00 0.00 0.00 0.00 36.38 32.11 1pns s VAL 148 CO 0.38 0.44 1.71 0.00 0.00 0.00 0.00 175.10 177.64 1pns n ALA 149 N 1.36 2.13 -0.14 5.51 0.00 -0.68 -4.78 120.51 123.91 1pns n ALA 149 Ca -0.05 0.39 -0.10 0.00 0.00 0.00 0.00 53.44 53.68 1pns n ALA 149 Cb 0.49 -2.48 -0.05 0.00 0.00 0.00 0.00 19.45 17.41 1pns n ALA 149 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1pns h GLU 150 N 7.04 -0.31 -0.30 0.00 3.07 -1.94 0.54 114.58 122.68 1pns h GLU 150 Ca -0.45 0.02 0.09 0.00 -0.50 0.00 0.00 59.36 58.52 1pns h GLU 150 Cb 1.23 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.19 1pns h GLU 150 CO 0.93 -0.20 0.43 0.87 -1.40 0.00 0.00 179.01 179.64 1pns h LYS 151 N -0.32 0.00 0.00 2.33 6.56 -1.99 0.17 116.57 123.32 1pns h LYS 151 Ca 0.14 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.73 1pns h LYS 151 Cb 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.24 1pns h LYS 151 CO -0.60 0.00 -1.40 0.43 -2.06 0.00 0.00 179.45 175.82 1pns n SER 152 N -3.47 0.52 0.28 0.86 7.64 0.15 -4.25 113.62 115.34 1pns n SER 152 Ca 0.05 -0.40 0.13 0.00 1.01 0.00 0.00 58.87 59.66 1pns n SER 152 Cb 0.57 1.33 0.69 0.00 -1.01 0.00 0.00 64.21 65.80 1pns n SER 152 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1pns h ARG 153 N 0.00 0.00 -0.00 1.43 3.08 0.25 1.02 114.38 120.16 1pns h ARG 153 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1pns h ARG 153 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1pns h ARG 153 CO 0.00 0.00 -0.68 0.09 -1.07 0.00 0.00 179.97 178.31 1pns n ASN 154 N -2.62 1.04 -4.70 7.04 3.02 -1.26 -4.63 115.26 113.15 1pns n ASN 154 Ca -0.02 -0.87 -0.42 0.00 -0.03 0.00 0.00 54.58 53.24 1pns n ASN 154 Cb 0.33 0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 40.06 1pns n ASN 154 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1pns s LEU 155 N -2.85 4.38 0.22 3.41 1.43 0.35 -4.89 118.68 120.73 1pns s LEU 155 Ca 0.13 2.62 -0.19 0.00 -1.03 0.00 0.00 54.13 55.65 1pns s LEU 155 Cb 0.17 -3.57 0.21 0.00 0.03 0.00 0.00 46.19 43.03 1pns s LEU 155 CO 0.73 -0.91 1.55 -0.08 0.23 0.00 0.00 176.35 177.87 1pns h GLU 156 N 7.97 -0.01 -0.13 1.70 4.81 -1.92 -0.58 114.58 126.42 1pns h GLU 156 Ca -0.44 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 58.84 1pns h GLU 156 Cb 1.21 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.52 1pns h GLU 156 CO 0.93 -0.01 -0.36 1.25 -0.73 0.00 0.00 179.01 180.10 1pns h LEU 157 N -0.01 -1.12 -1.51 1.64 6.46 -1.94 -1.75 115.31 117.08 1pns h LEU 157 Ca 0.32 0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 58.24 1pns h LEU 157 Cb 0.58 0.47 -0.02 0.00 -0.73 0.00 0.00 40.66 40.96 1pns h LEU 157 CO -0.97 -0.39 0.28 0.40 -0.62 0.00 0.00 178.44 177.15 1pns h ILE 158 N -0.43 1.13 -0.37 4.05 2.04 -1.44 -2.54 117.51 119.94 1pns h ILE 158 Ca 0.09 -0.27 -0.16 0.00 1.00 0.00 0.00 64.86 65.52 1pns h ILE 158 Cb 0.58 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1pns h ILE 158 CO -0.37 0.13 -0.40 0.03 0.00 0.00 0.00 178.15 177.53 1pns h ARG 159 N 0.63 0.93 0.79 2.37 3.08 -0.69 -1.87 114.38 119.62 1pns h ARG 159 Ca 0.17 -0.50 -0.04 0.00 0.07 0.00 0.00 59.98 59.68 1pns h ARG 159 Cb -0.04 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.04 1pns h ARG 159 CO -0.03 1.15 -0.38 1.96 -1.07 0.00 0.00 179.97 181.60 1pns h GLN 160 N 0.75 -1.03 -0.80 0.04 4.20 -0.95 -1.15 115.11 116.16 1pns h GLN 160 Ca 0.06 0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.86 1pns h GLN 160 Cb 1.00 0.23 -0.05 0.00 0.30 0.00 0.00 27.48 28.97 1pns h GLN 160 CO 0.10 -0.68 0.52 -0.91 -0.67 0.00 0.00 178.83 177.19 1pns h ASN 161 N -1.08 0.88 1.27 1.46 2.35 -1.53 -0.57 115.58 118.36 1pns h ASN 161 Ca -0.11 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1pns h ASN 161 Cb 0.82 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1pns h ASN 161 CO 0.18 0.62 0.00 -0.07 -1.65 0.00 0.00 177.43 176.51 1pns h LEU 162 N 1.04 0.00 0.00 1.61 3.38 -1.35 -1.59 115.31 118.39 1pns h LEU 162 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1pns h LEU 162 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1pns h LEU 162 CO -0.10 0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.64 1pns n GLU 163 N -3.05 0.00 0.30 1.13 4.07 -0.37 -3.15 120.64 119.56 1pns n GLU 163 Ca 0.02 0.38 0.09 0.00 -0.06 0.00 0.00 57.16 57.59 1pns n GLU 163 Cb 0.36 -1.09 0.43 0.00 -0.06 0.00 0.00 31.44 31.08 1pns n GLU 163 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1pns h ALA 164 N -2.00 1.73 0.00 4.31 0.00 -1.21 2.12 119.26 124.21 1pns h ALA 164 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pns h ALA 164 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pns h ALA 164 CO 0.00 -0.71 0.00 -1.33 0.00 0.00 0.00 179.25 177.21 1pns n MET 165 N -2.76 0.31 -2.21 0.00 2.81 -0.60 -4.50 117.12 110.17 1pns n MET 165 Ca 0.00 0.09 -0.42 0.00 -1.81 0.00 0.00 57.70 55.56 1pns n MET 165 Cb 0.72 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.70 1pns n MET 165 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1pns s LYS 166 N -2.51 4.26 0.00 0.03 1.02 0.72 -3.19 119.74 120.07 1pns s LYS 166 Ca 0.19 1.96 0.00 0.00 0.02 0.00 0.00 55.97 58.15 1pns s LYS 166 Cb 0.13 -3.65 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 1pns s LYS 166 CO 0.28 -0.63 0.00 0.41 -0.92 0.00 0.00 175.35 174.49 1pns n GLY 167 N 3.71 2.58 3.40 -3.33 0.00 -1.26 -5.01 105.19 105.29 1pns n GLY 167 Ca 0.14 -0.57 -0.61 0.00 0.00 0.00 0.00 46.02 44.98 1pns n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pns n ARG 168 N 0.00 0.00 -1.34 1.61 1.74 -1.19 -4.91 116.66 112.56 1pns n ARG 168 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 1pns n ARG 168 Cb 0.00 -1.38 0.24 0.00 -1.02 0.00 0.00 32.46 30.30 1pns n ARG 168 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1pns s LYS 169 N 2.13 -1.00 0.03 5.56 1.02 -1.26 -5.02 119.74 121.20 1pns s LYS 169 Ca 0.94 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.62 1pns s LYS 169 Cb -1.33 -1.64 -0.02 0.00 -0.52 0.00 0.00 37.83 34.31 1pns s LYS 169 CO 0.70 -3.52 -0.04 0.08 -0.92 0.00 0.00 175.35 171.66 1pns s VAL 170 N -3.32 0.19 0.26 3.17 1.01 -1.26 -5.07 120.40 115.38 1pns s VAL 170 Ca 0.74 -1.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.35 1pns s VAL 170 Cb -0.06 -0.53 -0.15 0.00 0.00 0.00 0.00 36.38 35.64 1pns s VAL 170 CO 0.55 -0.57 0.66 0.61 0.00 0.00 0.00 175.10 176.35 1pns n GLY 171 N 1.31 -1.28 0.00 4.51 0.00 -1.26 -4.80 105.19 103.67 1pns n GLY 171 Ca -0.22 0.29 0.01 0.00 0.00 0.00 0.00 46.02 46.10 1pns n GLY 171 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pns n PRO 172 N 0.88 0.03 -0.09 1.61 -0.04 -1.26 -0.48 135.00 135.66 1pns n PRO 172 Ca 0.14 0.24 0.07 0.00 -0.04 0.00 0.00 63.50 63.91 1pns n PRO 172 Cb 0.30 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.37 1pns n PRO 172 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1pns n TRP 173 N -1.26 0.23 -3.25 0.54 2.14 -1.26 -4.91 117.44 109.68 1pns n TRP 173 Ca 0.01 -0.19 0.00 0.00 2.07 0.00 0.00 57.50 59.39 1pns n TRP 173 Cb 0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 31.31 30.51 1pns n TRP 173 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1pns n LEU 174 N 0.84 0.00 0.00 5.67 4.77 0.37 0.07 117.00 128.71 1pns n LEU 174 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1pns n LEU 174 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1pns n LEU 174 CO 0.10 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.62 1pns n SER 175 N -0.32 0.00 -3.86 -1.43 3.41 -1.13 -4.72 113.62 105.58 1pns n SER 175 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1pns n SER 175 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1pns n SER 175 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1pns s LEU 176 N 0.00 1.53 -0.76 1.04 2.34 -1.26 0.33 118.68 121.90 1pns s LEU 176 Ca 0.00 -0.04 -0.11 0.00 0.06 0.00 0.00 54.13 54.05 1pns s LEU 176 Cb 0.00 0.61 0.20 0.00 -0.56 0.00 0.00 46.19 46.44 1pns s LEU 176 CO 0.00 -0.26 0.66 -0.62 -1.06 0.00 0.00 176.35 175.07 1pns s ASP 177 N -0.88 6.28 0.00 1.48 -1.08 0.33 -4.91 116.67 117.89 1pns s ASP 177 Ca -0.10 -2.72 0.00 0.00 -0.52 0.00 0.00 52.55 49.22 1pns s ASP 177 Cb -0.05 -2.10 0.00 0.00 -1.46 0.00 0.00 42.92 39.30 1pns s ASP 177 CO 0.01 -0.52 0.72 0.52 0.52 0.00 0.00 175.17 176.42 1pns n VAL 178 N 3.86 0.94 0.00 1.11 0.31 -1.26 -1.55 118.33 121.73 1pns n VAL 178 Ca 0.11 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 1pns n VAL 178 Cb 0.44 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 1pns n VAL 178 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1pns n GLU 179 N -1.22 0.00 -0.01 5.55 -0.58 -1.26 -3.89 120.64 119.24 1pns n GLU 179 Ca 0.00 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1pns n GLU 179 Cb 0.02 -0.84 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 1pns n GLU 179 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pns n GLY 180 N 1.40 -0.08 3.73 0.62 0.00 -1.17 -4.85 105.19 104.84 1pns n GLY 180 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1pns n GLY 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1pns n MET 181 N -0.30 -4.16 -4.27 1.61 2.81 -0.60 -4.67 117.12 107.55 1pns n MET 181 Ca 0.00 0.57 -0.27 0.00 -1.81 0.00 0.00 57.70 56.20 1pns n MET 181 Cb 0.10 -4.98 -0.07 0.00 -0.71 0.00 0.00 33.22 27.56 1pns n MET 181 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1pns s LYS 182 N -6.02 2.19 -0.16 0.03 1.02 -0.67 -2.34 119.74 113.79 1pns s LYS 182 Ca 0.06 -2.02 -0.31 0.00 0.02 0.00 0.00 55.97 53.73 1pns s LYS 182 Cb -0.02 -1.87 0.13 0.00 -0.52 0.00 0.00 37.83 35.55 1pns s LYS 182 CO 0.83 -0.24 1.08 0.20 -0.92 0.00 0.00 175.35 176.29 1pns s GLY 183 N -3.94 -0.26 0.03 -3.33 0.00 -1.25 -0.51 107.32 98.06 1pns s GLY 183 Ca 0.32 1.84 0.06 0.00 0.00 0.00 0.00 44.72 46.94 1pns s GLY 183 CO 0.18 0.78 -0.17 0.54 0.00 0.00 0.00 173.10 174.43 1pns s LYS 184 N -1.82 1.16 -0.73 2.90 1.02 0.15 0.13 119.74 122.56 1pns s LYS 184 Ca 0.04 -0.80 -0.20 0.00 0.02 0.00 0.00 55.97 55.03 1pns s LYS 184 Cb -0.01 -1.21 0.11 0.00 -0.52 0.00 0.00 37.83 36.20 1pns s LYS 184 CO -0.03 0.31 0.92 0.12 -0.92 0.00 0.00 175.35 175.74 1pns s PHE 185 N -0.76 2.98 0.00 3.18 5.36 -0.90 -2.82 117.98 125.02 1pns s PHE 185 Ca 0.05 -1.03 -0.25 0.00 -0.96 0.00 0.00 56.93 54.74 1pns s PHE 185 Cb -0.08 -4.17 -0.18 0.00 -0.34 0.00 0.00 43.02 38.25 1pns s PHE 185 CO 0.01 -1.45 1.29 -0.07 -1.46 0.00 0.00 175.22 173.54 1pns h LEU 186 N 10.40 -0.16 -7.87 6.12 3.38 -0.65 0.85 115.31 127.38 1pns h LEU 186 Ca -0.13 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 1pns h LEU 186 Cb 1.06 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.77 1pns h LEU 186 CO 1.11 0.22 0.06 -0.60 0.09 0.00 0.00 178.44 179.32 1pns s ARG 187 N -4.61 1.53 -0.04 1.13 6.06 -1.02 -4.32 118.95 117.68 1pns s ARG 187 Ca -0.15 -0.97 -0.30 0.00 -2.50 0.00 0.00 55.73 51.81 1pns s ARG 187 Cb 0.02 0.54 -0.05 0.00 0.06 0.00 0.00 34.95 35.52 1pns s ARG 187 CO 0.61 -0.66 1.54 -0.51 -2.50 0.00 0.00 175.30 173.77 1pns s LEU 188 N -2.91 4.31 0.67 -0.88 1.43 -1.26 -4.80 118.68 115.23 1pns s LEU 188 Ca 0.12 2.16 -0.18 0.00 -1.03 0.00 0.00 54.13 55.21 1pns s LEU 188 Cb -0.02 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.65 1pns s LEU 188 CO 0.02 -0.85 1.28 -0.81 0.23 0.00 0.00 176.35 176.23 1pns n PRO 189 N 6.44 1.02 -4.00 1.29 -0.04 -1.26 -5.01 135.00 133.43 1pns n PRO 189 Ca 0.16 0.41 -0.21 0.00 -0.04 0.00 0.00 63.50 63.81 1pns n PRO 189 Cb 0.43 -2.52 -0.03 0.00 -0.04 0.00 0.00 33.50 31.34 1pns n PRO 189 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1pns s ASP 190 N -1.45 5.83 0.35 3.54 -1.08 -1.26 -4.50 116.67 118.09 1pns s ASP 190 Ca 0.82 -0.15 0.15 0.00 -0.52 0.00 0.00 52.55 52.85 1pns s ASP 190 Cb -0.37 -1.53 1.07 0.00 -1.46 0.00 0.00 42.92 40.63 1pns s ASP 190 CO 0.41 -0.09 1.68 -0.09 0.52 0.00 0.00 175.17 177.60 1pns h ARG 191 N 1.32 0.36 -0.45 4.34 9.65 -1.94 0.17 114.38 127.83 1pns h ARG 191 Ca -0.49 -0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.29 1pns h ARG 191 Cb 1.24 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.72 1pns h ARG 191 CO 0.60 0.24 -0.01 0.93 2.80 0.00 0.00 179.97 184.53 1pns h GLU 192 N 0.37 0.75 0.00 0.20 3.07 -2.02 -2.95 114.58 113.99 1pns h GLU 192 Ca 0.71 -0.20 -0.01 0.00 -0.50 0.00 0.00 59.36 59.37 1pns h GLU 192 Cb 1.63 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 29.45 1pns h GLU 192 CO -0.54 0.77 -0.03 -0.44 -1.40 0.00 0.00 179.01 177.37 1pns h ASP 193 N 0.70 0.00 -3.13 1.42 3.32 -1.03 -3.42 116.42 114.28 1pns h ASP 193 Ca 0.14 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.56 1pns h ASP 193 Cb 0.45 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.87 1pns h ASP 193 CO 0.02 0.03 -0.52 -0.76 -1.72 0.00 0.00 179.24 176.29 1pns s LEU 194 N -7.08 4.09 -0.90 1.55 2.01 -1.12 -4.98 118.68 112.25 1pns s LEU 194 Ca -0.04 0.24 -0.01 0.00 0.01 0.00 0.00 54.13 54.32 1pns s LEU 194 Cb 0.14 -2.03 0.34 0.00 0.01 0.00 0.00 46.19 44.65 1pns s LEU 194 CO 0.52 0.25 1.91 0.00 1.01 0.00 0.00 176.35 180.03 1pns n ALA 195 N 3.06 6.29 -2.64 4.21 0.00 -1.26 -4.98 120.51 125.18 1pns n ALA 195 Ca -0.17 -4.32 -0.42 0.00 0.00 0.00 0.00 53.44 48.52 1pns n ALA 195 Cb 0.53 -2.01 -0.03 0.00 0.00 0.00 0.00 19.45 17.94 1pns n ALA 195 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pns s LEU 196 N -4.16 4.33 0.00 0.00 1.43 -1.26 -4.89 118.68 114.13 1pns s LEU 196 Ca 0.47 1.69 -0.04 0.00 -1.03 0.00 0.00 54.13 55.22 1pns s LEU 196 Cb 0.34 -3.57 -0.19 0.00 0.03 0.00 0.00 46.19 42.80 1pns s LEU 196 CO -0.30 -0.36 2.80 -0.81 0.23 0.00 0.00 176.35 177.91 1pns n PRO 197 N 4.28 1.48 -4.29 1.29 -0.04 -1.26 -4.77 135.00 131.69 1pns n PRO 197 Ca 0.07 -0.71 -0.21 0.00 -0.04 0.00 0.00 63.50 62.62 1pns n PRO 197 Cb 0.49 -1.82 -0.11 0.00 -0.04 0.00 0.00 33.50 32.02 1pns n PRO 197 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1pns s VAL 198 N 1.36 1.61 -0.58 0.52 1.01 -1.26 -4.92 120.40 118.14 1pns s VAL 198 Ca 0.47 -1.75 0.04 0.00 0.00 0.00 0.00 61.98 60.75 1pns s VAL 198 Cb 0.23 -1.65 0.17 0.00 0.00 0.00 0.00 36.38 35.12 1pns s VAL 198 CO 0.00 -0.29 0.41 0.21 0.00 0.00 0.00 175.10 175.43 1pns s ASN 199 N -2.40 3.59 0.62 3.32 3.04 -1.26 -4.95 114.94 116.90 1pns s ASN 199 Ca 0.11 -3.46 0.24 0.00 0.04 0.00 0.00 52.86 49.79 1pns s ASN 199 Cb -0.06 -1.19 1.16 0.00 -1.54 0.00 0.00 41.25 39.61 1pns s ASN 199 CO 0.05 -0.13 1.62 1.05 -3.04 0.00 0.00 177.10 176.65 1pns h GLU 200 N 5.63 0.00 -0.48 0.43 9.09 -1.97 0.11 114.58 127.39 1pns h GLU 200 Ca 0.16 0.00 0.09 0.00 0.05 0.00 0.00 59.36 59.67 1pns h GLU 200 Cb 0.82 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 27.82 1pns h GLU 200 CO 0.58 0.00 -0.31 1.96 0.05 0.00 0.00 179.01 181.29 1pns h GLN 201 N 0.00 -0.19 0.00 1.06 1.08 -1.96 0.34 115.11 115.44 1pns h GLN 201 Ca 0.20 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.35 1pns h GLN 201 Cb 1.61 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 29.07 1pns h GLN 201 CO -0.00 -0.13 -0.30 -0.07 -0.95 0.00 0.00 178.83 177.39 1pns h LEU 202 N -0.20 0.00 -0.35 1.46 3.38 -1.19 -2.01 115.31 116.40 1pns h LEU 202 Ca 0.20 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.02 1pns h LEU 202 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1pns h LEU 202 CO -0.59 0.30 -0.38 0.58 0.09 0.00 0.00 178.44 178.43 1pns h VAL 203 N 0.00 1.28 -0.19 1.22 2.07 -0.48 -0.12 116.25 120.03 1pns h VAL 203 Ca -0.00 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 65.94 1pns h VAL 203 Cb 0.74 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1pns h VAL 203 CO 0.04 0.52 0.04 0.40 0.02 0.00 0.00 177.57 178.59 1pns h ILE 204 N 0.68 1.21 -0.59 4.57 2.04 -0.35 -2.64 117.51 122.43 1pns h ILE 204 Ca 0.05 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.29 1pns h ILE 204 Cb 0.98 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 1pns h ILE 204 CO 0.09 0.21 0.39 -0.33 0.00 0.00 0.00 178.15 178.51 1pns h GLU 205 N 0.12 0.60 -0.25 2.37 5.08 -1.25 -1.67 114.58 119.58 1pns h GLU 205 Ca 0.06 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1pns h GLU 205 Cb 0.28 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1pns h GLU 205 CO 0.00 0.39 -0.24 0.35 -1.00 0.00 0.00 179.01 178.52 1pns h PHE 206 N 0.61 0.52 -0.05 4.33 3.57 -0.67 -1.38 116.94 123.89 1pns h PHE 206 Ca 0.25 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1pns h PHE 206 Cb 0.21 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1pns h PHE 206 CO -0.00 0.67 0.00 0.66 -2.23 0.00 0.00 178.31 177.41 1pns n TYR 207 N -4.13 0.05 0.02 0.41 0.53 -0.67 -3.57 117.16 109.80 1pns n TYR 207 Ca -0.00 -0.03 -0.20 0.00 -1.02 0.00 0.00 57.90 56.65 1pns n TYR 207 Cb 0.39 0.00 -0.14 0.00 -1.03 0.00 0.00 39.34 38.56 1pns n TYR 207 CO 0.00 0.00 0.00 0.77 -1.02 0.00 0.00 176.86 176.61 1pns h SER 208 N 1.21 0.39 0.00 7.72 0.02 -0.78 -3.51 113.55 118.60 1pns h SER 208 Ca 0.00 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 1pns h SER 208 Cb 0.26 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1pns h SER 208 CO 0.00 1.43 0.00 -1.14 -1.14 0.00 0.00 176.83 175.98