#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nkw s ASP 2 N 0.00 2.86 0.00 -1.84 1.01 -1.26 -5.09 116.67 112.35 3nkw s ASP 2 Ca 0.00 -0.54 0.00 0.00 0.71 0.00 0.00 52.55 52.72 3nkw s ASP 2 Cb 0.00 -0.26 0.00 0.00 1.01 0.00 0.00 42.92 43.67 3nkw s ASP 2 CO 0.00 0.23 0.54 -2.65 0.21 0.00 0.00 175.17 173.50 3nkw n PRO 3 N 1.90 0.00 -2.12 8.23 -0.02 -1.26 -4.68 135.00 137.06 3nkw n PRO 3 Ca -0.17 0.54 -0.09 0.00 -2.02 0.00 0.00 63.50 61.76 3nkw n PRO 3 Cb 0.52 -0.96 0.01 0.00 -0.02 0.00 0.00 33.50 33.06 3nkw n PRO 3 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3nkw n PRO 4 N -1.51 1.02 -1.53 0.52 -0.04 -1.26 -4.99 135.00 127.21 3nkw n PRO 4 Ca 0.00 -1.29 -0.38 0.00 -0.04 0.00 0.00 63.50 61.79 3nkw n PRO 4 Cb 0.00 0.03 -0.08 0.00 -0.04 0.00 0.00 33.50 33.42 3nkw n PRO 4 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3nkw n ALA 5 N -2.64 0.60 -3.52 0.55 0.00 -1.26 -4.84 120.51 109.40 3nkw n ALA 5 Ca -0.06 -0.69 -0.28 0.00 0.00 0.00 0.00 53.44 52.41 3nkw n ALA 5 Cb 0.24 -2.85 -0.14 0.00 0.00 0.00 0.00 19.45 16.70 3nkw n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3nkw s GLY 7 N 2.05 0.29 -1.23 0.00 0.00 -1.26 -4.62 107.32 102.55 3nkw s GLY 7 Ca 0.10 -1.49 -0.04 0.00 0.00 0.00 0.00 44.72 43.29 3nkw s GLY 7 CO -0.34 3.39 0.78 1.44 0.00 0.00 0.00 173.10 178.38 3nkw n SER 8 N 13.30 -2.71 -4.72 1.64 7.64 -1.26 -4.84 113.62 122.67 3nkw n SER 8 Ca 0.37 -0.81 -0.42 0.00 1.01 0.00 0.00 58.87 59.02 3nkw n SER 8 Cb 0.48 -4.25 -0.03 0.00 -1.01 0.00 0.00 64.21 59.39 3nkw n SER 8 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3nkw s ILE 9 N -3.56 4.10 -0.15 0.44 1.01 -1.26 -4.26 121.20 117.52 3nkw s ILE 9 Ca 0.14 1.61 -0.29 0.00 0.00 0.00 0.00 60.65 62.11 3nkw s ILE 9 Cb -0.04 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 3nkw s ILE 9 CO 0.80 0.18 1.23 -0.69 0.00 0.00 0.00 174.94 176.46 3nkw s VAL 10 N 0.56 4.32 0.64 2.92 1.01 0.28 -4.94 120.40 125.18 3nkw s VAL 10 Ca 0.54 1.60 -0.14 0.00 0.00 0.00 0.00 61.98 63.98 3nkw s VAL 10 Cb -0.28 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 3nkw s VAL 10 CO 0.31 -0.11 1.08 -2.16 0.00 0.00 0.00 175.10 174.22 3nkw s PRO 11 N 3.16 3.03 0.20 2.72 0.04 -1.26 -1.92 135.00 140.98 3nkw s PRO 11 Ca 0.54 1.22 -0.17 0.00 0.04 0.00 0.00 61.00 62.63 3nkw s PRO 11 Cb -0.22 -1.99 0.19 0.00 0.04 0.00 0.00 34.50 32.52 3nkw s PRO 11 CO 0.16 -1.05 1.60 0.00 0.04 0.00 0.00 177.00 177.75 3nkw h ARG 12 N 0.03 -0.09 0.00 4.56 3.08 -1.94 -0.30 114.38 119.72 3nkw h ARG 12 Ca -0.46 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.59 3nkw h ARG 12 Cb 1.23 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 3nkw h ARG 12 CO 0.56 -0.06 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.30 3nkw h ARG 13 N -0.10 0.00 0.00 0.04 2.43 -1.93 -2.17 114.38 112.66 3nkw h ARG 13 Ca 0.28 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.26 3nkw h ARG 13 Cb 0.54 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3nkw h ARG 13 CO -0.70 0.01 -0.85 1.49 -1.51 0.00 0.00 179.97 178.41 3nkw h GLU 14 N 0.00 0.15 -0.54 0.20 4.81 -1.41 -3.07 114.58 114.72 3nkw h GLU 14 Ca -0.00 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3nkw h GLU 14 Cb 0.02 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.44 3nkw h GLU 14 CO 0.00 0.91 0.00 -2.67 -0.73 0.00 0.00 179.01 176.52 3nkw n TRP 15 N -3.65 0.78 -3.06 0.92 4.27 -0.86 -4.95 117.44 110.90 3nkw n TRP 15 Ca -0.03 -0.36 -0.12 0.00 -3.89 0.00 0.00 57.50 53.10 3nkw n TRP 15 Cb 0.79 -0.05 0.04 0.00 -1.36 0.00 0.00 31.31 30.74 3nkw n TRP 15 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 3nkw n ARG 16 N 0.94 -4.05 -2.22 -2.67 5.12 -0.96 -4.57 116.66 108.24 3nkw n ARG 16 Ca 0.17 0.42 -0.41 0.00 -1.93 0.00 0.00 57.85 56.11 3nkw n ARG 16 Cb 0.49 -4.22 -0.03 0.00 -1.16 0.00 0.00 32.46 27.55 3nkw n ARG 16 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3nkw s ALA 17 N -3.16 3.48 0.80 7.54 0.00 -0.93 -4.98 121.76 124.51 3nkw s ALA 17 Ca 0.30 1.14 -0.14 0.00 0.00 0.00 0.00 51.96 53.26 3nkw s ALA 17 Cb -0.13 -3.44 0.07 0.00 0.00 0.00 0.00 23.12 19.62 3nkw s ALA 17 CO 0.37 -0.50 1.16 1.28 0.00 0.00 0.00 175.76 178.07 3nkw n LEU 18 N 1.25 4.27 -4.77 0.00 4.77 -1.26 -4.86 117.00 116.40 3nkw n LEU 18 Ca 0.01 0.60 -0.39 0.00 -0.03 0.00 0.00 56.01 56.19 3nkw n LEU 18 Cb 0.43 -1.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.01 3nkw n LEU 18 CO 0.58 -1.76 0.91 0.00 -1.33 0.00 0.00 177.39 175.79 3nkw s ALA 19 N -2.07 3.28 0.39 -1.18 0.00 -1.26 -4.98 121.76 115.94 3nkw s ALA 19 Ca 0.73 1.13 -0.24 0.00 0.00 0.00 0.00 51.96 53.59 3nkw s ALA 19 Cb -0.30 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.28 3nkw s ALA 19 CO 0.51 -0.65 0.99 0.45 0.00 0.00 0.00 175.76 177.06 3nkw s SER 20 N -0.83 6.98 -0.01 0.00 0.15 -1.26 -4.91 113.70 113.82 3nkw s SER 20 Ca 0.55 1.87 0.02 0.00 0.70 0.00 0.00 55.95 59.09 3nkw s SER 20 Cb -0.36 -2.57 0.03 0.00 -1.71 0.00 0.00 66.02 61.41 3nkw s SER 20 CO 0.46 -0.33 0.98 -0.62 1.20 0.00 0.00 173.24 174.93 3nkw n GLU 21 N -0.05 2.61 -2.72 5.44 -0.58 -0.50 -5.05 120.64 119.78 3nkw n GLU 21 Ca 0.05 -1.54 -0.35 0.00 -0.42 0.00 0.00 57.16 54.89 3nkw n GLU 21 Cb 0.51 -1.02 -0.06 0.00 -0.57 0.00 0.00 31.44 30.31 3nkw n GLU 21 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3nkw n ARG 23 N -0.06 2.31 -1.93 0.00 1.74 -1.26 -5.05 116.66 112.42 3nkw n ARG 23 Ca 0.05 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.71 3nkw n ARG 23 Cb 0.51 -0.74 -0.03 0.00 -1.02 0.00 0.00 32.46 31.18 3nkw n ARG 23 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3nkw s GLU 24 N -1.32 4.20 0.50 5.56 2.02 -1.26 -4.98 118.70 123.42 3nkw s GLU 24 Ca 0.00 2.35 -0.06 0.00 0.02 0.00 0.00 54.97 57.28 3nkw s GLU 24 Cb 0.00 -3.39 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 3nkw s GLU 24 CO 0.00 -0.68 0.82 1.03 0.02 0.00 0.00 175.26 176.45 3nkw s ARG 25 N 1.94 3.52 -0.16 1.61 1.81 -1.26 -1.72 118.95 124.68 3nkw s ARG 25 Ca 0.72 0.25 -0.05 0.00 -1.72 0.00 0.00 55.73 54.93 3nkw s ARG 25 Cb -0.42 -2.34 -0.03 0.00 -0.45 0.00 0.00 34.95 31.71 3nkw s ARG 25 CO 0.32 -0.27 0.01 -1.17 -0.68 0.00 0.00 175.30 173.51 3nkw s LEU 26 N -4.80 3.51 -0.08 2.53 2.96 0.57 -4.24 118.68 119.14 3nkw s LEU 26 Ca 0.48 -0.02 -0.31 0.00 -0.22 0.00 0.00 54.13 54.07 3nkw s LEU 26 Cb -0.10 -1.86 -0.09 0.00 0.50 0.00 0.00 46.19 44.64 3nkw s LEU 26 CO 0.46 0.19 2.03 1.07 -1.32 0.00 0.00 176.35 178.79 3nkw n THR 27 N 3.40 0.59 -0.28 3.68 5.66 -1.26 -4.89 114.28 121.18 3nkw n THR 27 Ca -0.17 -0.22 -0.11 0.00 -3.05 0.00 0.00 64.05 60.49 3nkw n THR 27 Cb 0.52 -2.26 -0.09 0.00 -1.55 0.00 0.00 70.33 66.95 3nkw n THR 27 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 3nkw h ARG 28 N 11.59 -0.16 -6.04 1.09 2.43 -1.92 -3.30 114.38 118.08 3nkw h ARG 28 Ca -0.46 0.01 -0.57 0.00 -0.81 0.00 0.00 59.98 58.15 3nkw h ARG 28 Cb 1.25 0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 30.73 3nkw h ARG 28 CO 0.95 -0.10 0.89 -1.25 -1.51 0.00 0.00 179.97 178.94 3nkw s PRO 29 N -5.39 3.17 0.18 0.20 0.04 -1.25 -4.21 135.00 127.73 3nkw s PRO 29 Ca -0.12 -0.46 -0.08 0.00 0.04 0.00 0.00 61.00 60.37 3nkw s PRO 29 Cb 0.09 -4.21 -0.06 0.00 0.04 0.00 0.00 34.50 30.35 3nkw s PRO 29 CO 0.58 -2.04 0.47 0.08 0.04 0.00 0.00 177.00 176.13 3nkw s VAL 30 N 5.14 5.03 -0.19 -0.36 1.01 -0.11 -4.71 120.40 126.22 3nkw s VAL 30 Ca 0.31 0.35 0.15 0.00 0.00 0.00 0.00 61.98 62.78 3nkw s VAL 30 Cb -0.11 -3.63 -0.22 0.00 0.00 0.00 0.00 36.38 32.42 3nkw s VAL 30 CO 0.13 0.03 0.04 -1.14 0.00 0.00 0.00 175.10 174.16 3nkw n ARG 31 N 0.14 0.97 -4.34 2.72 0.63 -1.25 -0.33 116.66 115.20 3nkw n ARG 31 Ca -0.02 0.01 -0.26 0.00 -0.92 0.00 0.00 57.85 56.66 3nkw n ARG 31 Cb 0.52 -1.47 -0.10 0.00 0.45 0.00 0.00 32.46 31.87 3nkw n ARG 31 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3nkw s TYR 32 N -2.45 2.53 -0.08 -0.14 2.02 -1.20 -1.06 117.35 116.97 3nkw s TYR 32 Ca -0.11 -0.26 -0.01 0.00 -0.37 0.00 0.00 57.07 56.31 3nkw s TYR 32 Cb 0.06 -1.20 0.03 0.00 -0.40 0.00 0.00 41.96 40.44 3nkw s TYR 32 CO 0.73 0.56 -0.01 0.08 -1.57 0.00 0.00 175.55 175.33 3nkw s VAL 33 N -1.91 0.53 -0.21 0.71 1.01 -0.45 -1.14 120.40 118.94 3nkw s VAL 33 Ca 0.26 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.16 3nkw s VAL 33 Cb -0.08 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 3nkw s VAL 33 CO 0.15 0.27 0.10 -0.69 0.00 0.00 0.00 175.10 174.92 3nkw s VAL 34 N 1.91 4.91 -0.20 2.92 1.01 0.09 -0.25 120.40 130.80 3nkw s VAL 34 Ca 0.05 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 3nkw s VAL 34 Cb -0.12 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 3nkw s VAL 34 CO -0.06 0.40 0.06 -0.69 0.00 0.00 0.00 175.10 174.81 3nkw s VAL 35 N 0.78 4.62 0.42 2.92 1.01 -0.76 -1.94 120.40 127.45 3nkw s VAL 35 Ca 0.05 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.97 3nkw s VAL 35 Cb -0.13 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 3nkw s VAL 35 CO 0.02 0.43 0.08 -0.94 0.00 0.00 0.00 175.10 174.69 3nkw s SER 36 N 0.68 3.12 0.19 3.32 1.04 -0.40 -1.17 113.70 120.47 3nkw s SER 36 Ca 0.03 -1.60 0.11 0.00 0.48 0.00 0.00 55.95 54.98 3nkw s SER 36 Cb -0.13 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 3nkw s SER 36 CO 0.02 -0.82 -0.24 -1.38 0.98 0.00 0.00 173.24 171.79 3nkw s HIS 37 N -3.11 2.29 0.29 5.02 -3.43 -1.26 -1.97 115.29 113.12 3nkw s HIS 37 Ca 0.22 -0.36 0.07 0.00 -0.80 0.00 0.00 55.06 54.19 3nkw s HIS 37 Cb 0.04 -1.14 0.43 0.00 -1.43 0.00 0.00 32.58 30.48 3nkw s HIS 37 CO 0.12 0.49 1.67 1.79 -2.00 0.00 0.00 174.74 176.82 3nkw h THR 38 N 3.23 1.34 -0.55 -5.38 1.35 -1.01 -3.46 112.91 108.43 3nkw h THR 38 Ca -0.46 -1.66 -0.23 0.00 -0.55 0.00 0.00 66.41 63.50 3nkw h THR 38 Cb 1.21 1.81 -0.09 0.00 -1.73 0.00 0.00 68.15 69.34 3nkw h THR 38 CO 0.48 0.49 -0.21 0.00 -0.25 0.00 0.00 175.52 176.02 3nkw n ALA 39 N -2.47 -0.17 -2.20 6.62 0.00 -0.26 -4.91 120.51 117.12 3nkw n ALA 39 Ca -0.02 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3nkw n ALA 39 Cb 0.52 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3nkw n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nkw n GLY 40 N -1.37 1.83 3.76 0.00 0.00 -1.25 -4.76 105.19 103.40 3nkw n GLY 40 Ca -0.11 -2.05 -0.37 0.00 0.00 0.00 0.00 46.02 43.49 3nkw n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nkw s SER 41 N -1.00 5.62 0.73 1.61 0.01 -1.26 -3.44 113.70 115.97 3nkw s SER 41 Ca 0.00 2.42 -0.00 0.00 1.31 0.00 0.00 55.95 59.68 3nkw s SER 41 Cb 0.00 -2.61 0.14 0.00 0.21 0.00 0.00 66.02 63.76 3nkw s SER 41 CO 0.00 -1.30 0.98 0.00 0.41 0.00 0.00 173.24 173.33 3nkw n HIS 42 N -1.03 -2.95 -3.66 2.43 -0.00 -1.26 -3.57 115.22 105.19 3nkw n HIS 42 Ca 0.10 -1.73 -0.05 0.00 -0.00 0.00 0.00 57.72 56.05 3nkw n HIS 42 Cb 0.48 -0.71 -0.07 0.00 -0.00 0.00 0.00 29.99 29.69 3nkw n HIS 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3nkw n ASP 44 N 5.12 0.51 -4.22 0.00 5.75 -1.26 -1.46 116.55 120.99 3nkw n ASP 44 Ca -0.14 -1.90 -0.13 0.00 -0.01 0.00 0.00 54.79 52.62 3nkw n ASP 44 Cb 0.51 -0.17 -0.10 0.00 -1.03 0.00 0.00 41.12 40.34 3nkw n ASP 44 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3nkw s THR 45 N -0.51 0.58 0.25 2.12 -4.23 -1.26 -4.18 115.64 108.41 3nkw s THR 45 Ca 0.05 -1.96 0.07 0.00 -1.18 0.00 0.00 61.69 58.66 3nkw s THR 45 Cb 0.04 -2.07 -0.04 0.00 1.34 0.00 0.00 72.50 71.78 3nkw s THR 45 CO 0.00 -0.51 1.58 -0.65 -0.54 0.00 0.00 174.62 174.50 3nkw h PRO 46 N 2.75 0.14 -0.03 3.99 0.11 -1.97 -0.29 132.00 136.69 3nkw h PRO 46 Ca -0.36 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3nkw h PRO 46 Cb 1.20 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3nkw h PRO 46 CO 0.62 0.71 0.02 0.00 -0.21 0.00 0.00 178.00 179.14 3nkw h ALA 47 N 1.26 0.04 0.00 -0.75 0.00 -2.00 -1.57 119.26 116.25 3nkw h ALA 47 Ca -0.01 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3nkw h ALA 47 Cb 1.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3nkw h ALA 47 CO 0.09 -0.46 -0.62 0.66 0.00 0.00 0.00 179.25 178.92 3nkw h SER 48 N 0.02 0.00 0.65 0.00 4.64 -1.94 -2.68 113.55 114.24 3nkw h SER 48 Ca 0.01 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.12 3nkw h SER 48 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3nkw h SER 48 CO -0.00 0.62 -0.93 0.00 -0.87 0.00 0.00 176.83 175.65 3nkw h ALA 50 N 0.94 0.16 -0.41 0.00 0.00 -1.29 -0.77 119.26 117.89 3nkw h ALA 50 Ca -0.05 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.86 3nkw h ALA 50 Cb 1.59 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.28 3nkw h ALA 50 CO 0.14 -0.30 0.14 0.37 0.00 0.00 0.00 179.25 179.60 3nkw h GLN 51 N 0.11 0.29 -0.50 0.00 5.75 -1.47 -0.91 115.11 118.38 3nkw h GLN 51 Ca 0.04 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 3nkw h GLN 51 Cb 0.07 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 3nkw h GLN 51 CO -0.01 0.19 0.33 1.96 -2.65 0.00 0.00 178.83 178.66 3nkw h GLN 52 N 0.30 0.66 -0.48 1.69 1.08 -1.19 -0.19 115.11 116.97 3nkw h GLN 52 Ca 0.19 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.29 3nkw h GLN 52 Cb 0.19 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 3nkw h GLN 52 CO -0.20 0.44 0.06 0.00 -0.95 0.00 0.00 178.83 178.17 3nkw h ALA 53 N 1.68 0.65 -0.93 3.87 0.00 -0.51 -1.56 119.26 122.47 3nkw h ALA 53 Ca 0.18 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3nkw h ALA 53 Cb -0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 3nkw h ALA 53 CO -0.04 0.40 0.61 1.96 0.00 0.00 0.00 179.25 182.18 3nkw h GLN 54 N 0.68 1.18 -0.77 0.00 4.20 -0.36 -2.36 115.11 117.69 3nkw h GLN 54 Ca 0.14 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 3nkw h GLN 54 Cb 0.43 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 3nkw h GLN 54 CO 0.01 0.78 0.27 -0.91 -0.67 0.00 0.00 178.83 178.31 3nkw h ASN 55 N 1.22 1.09 0.20 1.46 2.35 -0.81 -1.66 115.58 119.43 3nkw h ASN 55 Ca 0.35 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 3nkw h ASN 55 Cb -0.08 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.01 3nkw h ASN 55 CO -0.09 0.99 -0.09 0.58 -1.65 0.00 0.00 177.43 177.17 3nkw h VAL 56 N 1.13 0.81 -0.94 2.81 2.07 -0.95 -2.46 116.25 118.72 3nkw h VAL 56 Ca 0.25 -0.98 0.14 0.00 0.82 0.00 0.00 66.70 66.93 3nkw h VAL 56 Cb 0.27 1.32 -0.09 0.00 -1.52 0.00 0.00 31.29 31.27 3nkw h VAL 56 CO -0.01 0.19 0.56 -0.61 0.02 0.00 0.00 177.57 177.72 3nkw h GLN 57 N -0.82 0.80 -0.17 1.57 4.15 -1.51 -1.54 115.11 117.58 3nkw h GLN 57 Ca -0.03 -0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.39 3nkw h GLN 57 Cb 0.52 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 3nkw h GLN 57 CO 0.04 0.53 -0.11 1.03 -1.93 0.00 0.00 178.83 178.39 3nkw h SER 58 N 0.82 -0.36 -0.36 -0.69 0.87 -1.24 -0.17 113.55 112.42 3nkw h SER 58 Ca 0.50 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 61.16 3nkw h SER 58 Cb 0.61 0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.73 3nkw h SER 58 CO -0.32 -0.15 0.17 0.22 -0.53 0.00 0.00 176.83 176.23 3nkw h TYR 59 N -0.11 0.32 -0.31 2.24 3.20 -0.82 0.63 116.97 122.12 3nkw h TYR 59 Ca 0.10 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.93 3nkw h TYR 59 Cb 0.26 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3nkw h TYR 59 CO -0.25 0.17 -0.03 0.45 -1.64 0.00 0.00 178.16 176.85 3nkw h HIS 60 N 0.36 0.50 0.00 -3.82 3.86 -0.86 -1.93 115.15 113.27 3nkw h HIS 60 Ca 0.15 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3nkw h HIS 60 Cb 0.07 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.39 3nkw h HIS 60 CO -0.10 0.52 -0.53 0.28 0.86 0.00 0.00 177.93 178.96 3nkw n VAL 61 N -4.27 1.17 -0.07 2.45 0.31 -0.12 -0.91 118.33 116.89 3nkw n VAL 61 Ca 0.01 0.25 -0.07 0.00 -0.01 0.00 0.00 64.34 64.52 3nkw n VAL 61 Cb 0.26 -2.22 -0.01 0.00 -0.91 0.00 0.00 33.84 30.96 3nkw n VAL 61 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3nkw h ARG 62 N -0.81 0.06 0.00 5.55 2.47 -1.04 -2.98 114.38 117.62 3nkw h ARG 62 Ca 0.00 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3nkw h ARG 62 Cb 0.53 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 3nkw h ARG 62 CO 0.00 0.04 -0.56 0.09 0.56 0.00 0.00 179.97 180.10 3nkw n ASN 63 N -5.17 1.75 0.06 7.04 3.02 -1.00 -4.44 115.26 116.52 3nkw n ASN 63 Ca -0.01 0.58 0.11 0.00 -0.03 0.00 0.00 54.58 55.23 3nkw n ASN 63 Cb 0.14 -0.84 0.44 0.00 -0.61 0.00 0.00 39.78 38.91 3nkw n ASN 63 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3nkw n LEU 64 N -4.50 0.34 0.00 3.41 4.77 -0.76 -4.90 117.00 115.37 3nkw n LEU 64 Ca -0.08 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 3nkw n LEU 64 Cb 0.29 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3nkw n LEU 64 CO 0.12 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.50 3nkw n GLY 65 N 0.51 0.69 3.74 -0.72 0.00 -1.12 -4.98 105.19 103.31 3nkw n GLY 65 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3nkw n GLY 65 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3nkw s TRP 66 N -2.60 2.28 -0.36 1.61 0.51 -0.09 -4.95 118.94 115.34 3nkw s TRP 66 Ca 0.00 1.62 0.25 0.00 -2.12 0.00 0.00 56.10 55.85 3nkw s TRP 66 Cb 0.00 -3.14 1.07 0.00 -0.81 0.00 0.00 33.47 30.59 3nkw s TRP 66 CO 0.00 -2.13 1.75 0.00 -0.51 0.00 0.00 176.95 176.06 3nkw n ASP 68 N -2.35 0.00 -4.55 0.00 2.03 -1.26 -1.41 116.55 109.01 3nkw n ASP 68 Ca 0.01 0.00 -0.48 0.00 0.52 0.00 0.00 54.79 54.84 3nkw n ASP 68 Cb 0.21 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.57 3nkw n ASP 68 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 3nkw n VAL 69 N -0.14 1.32 -0.14 5.18 3.14 -1.26 -4.73 118.33 121.69 3nkw n VAL 69 Ca 0.00 -0.33 -0.02 0.00 -2.96 0.00 0.00 64.34 61.03 3nkw n VAL 69 Cb 0.00 -0.70 0.21 0.00 -1.06 0.00 0.00 33.84 32.29 3nkw n VAL 69 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3nkw h GLY 70 N 2.58 0.92 -2.36 7.55 0.00 -1.93 -3.41 103.07 106.42 3nkw h GLY 70 Ca -0.40 -0.48 -0.50 0.00 0.00 0.00 0.00 47.33 45.96 3nkw h GLY 70 CO 0.65 0.45 0.07 -0.19 0.00 0.00 0.00 176.54 177.52 3nkw s TYR 71 N -5.36 3.52 0.17 5.60 2.02 -1.26 -0.50 117.35 121.54 3nkw s TYR 71 Ca -0.10 0.86 0.00 0.00 -0.37 0.00 0.00 57.07 57.46 3nkw s TYR 71 Cb 0.16 -2.31 0.03 0.00 -0.40 0.00 0.00 41.96 39.44 3nkw s TYR 71 CO 0.79 -0.14 1.41 -0.91 -1.57 0.00 0.00 175.55 175.13 3nkw h ASN 72 N 0.81 0.38 -4.41 2.29 2.35 -1.52 -2.38 115.58 113.10 3nkw h ASN 72 Ca -0.47 -0.28 -0.12 0.00 -0.55 0.00 0.00 56.30 54.88 3nkw h ASN 72 Cb 1.20 -0.11 -0.22 0.00 0.05 0.00 0.00 38.32 39.23 3nkw h ASN 72 CO 0.63 1.04 -0.22 -0.36 -1.65 0.00 0.00 177.43 176.86 3nkw s PHE 73 N -3.43 -0.35 0.09 1.19 0.08 -1.01 -1.58 117.98 112.97 3nkw s PHE 73 Ca -0.04 0.76 0.10 0.00 0.12 0.00 0.00 56.93 57.86 3nkw s PHE 73 Cb 0.10 0.15 -0.03 0.00 -0.57 0.00 0.00 43.02 42.67 3nkw s PHE 73 CO 0.83 -0.31 -0.26 -0.51 -0.10 0.00 0.00 175.22 174.87 3nkw s LEU 74 N -0.51 2.27 -0.02 -0.37 1.02 0.12 -1.84 118.68 119.34 3nkw s LEU 74 Ca -0.06 -0.67 0.06 0.00 0.02 0.00 0.00 54.13 53.48 3nkw s LEU 74 Cb -0.04 -1.27 -0.02 0.00 0.02 0.00 0.00 46.19 44.89 3nkw s LEU 74 CO 0.03 0.22 -0.21 -0.63 0.02 0.00 0.00 176.35 175.78 3nkw s ILE 75 N -0.95 1.63 0.17 -0.59 1.01 0.89 0.72 121.20 124.08 3nkw s ILE 75 Ca 0.13 -0.88 0.07 0.00 0.00 0.00 0.00 60.65 59.97 3nkw s ILE 75 Cb -0.10 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 3nkw s ILE 75 CO 0.04 0.46 0.00 -0.83 0.00 0.00 0.00 174.94 174.62 3nkw s GLY 76 N -0.45 1.74 0.00 6.18 0.00 -0.58 -1.46 107.32 112.75 3nkw s GLY 76 Ca 0.07 -1.34 0.23 0.00 0.00 0.00 0.00 44.72 43.68 3nkw s GLY 76 CO -0.01 -1.35 1.76 1.18 0.00 0.00 0.00 173.10 174.68 3nkw n GLU 77 N -0.07 0.39 0.00 2.90 1.02 -0.53 -0.36 120.64 123.99 3nkw n GLU 77 Ca -0.10 0.06 0.07 0.00 -0.02 0.00 0.00 57.16 57.17 3nkw n GLU 77 Cb 0.55 -1.50 0.37 0.00 -0.02 0.00 0.00 31.44 30.83 3nkw n GLU 77 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3nkw n ASP 78 N -1.24 0.00 -1.36 1.62 5.75 -1.13 -4.73 116.55 115.46 3nkw n ASP 78 Ca 0.12 0.16 -0.09 0.00 -0.01 0.00 0.00 54.79 54.98 3nkw n ASP 78 Cb 0.17 -0.33 0.02 0.00 -1.03 0.00 0.00 41.12 39.94 3nkw n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3nkw n GLY 79 N 0.01 0.25 3.29 6.12 0.00 0.51 -4.94 105.19 110.43 3nkw n GLY 79 Ca 0.06 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 3nkw n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nkw s LEU 80 N -2.94 2.40 -0.16 0.99 1.43 -1.24 -4.71 118.68 114.46 3nkw s LEU 80 Ca 0.13 -0.82 -0.07 0.00 -1.03 0.00 0.00 54.13 52.34 3nkw s LEU 80 Cb -0.06 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 3nkw s LEU 80 CO 0.16 -0.06 0.10 -0.69 0.23 0.00 0.00 176.35 176.10 3nkw s VAL 81 N -1.95 5.18 -0.21 -1.59 1.01 -1.26 -1.53 120.40 120.05 3nkw s VAL 81 Ca 0.12 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.15 3nkw s VAL 81 Cb -0.06 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 3nkw s VAL 81 CO 0.05 0.53 -0.02 -0.31 0.00 0.00 0.00 175.10 175.35 3nkw s TYR 82 N -0.26 3.00 0.01 5.22 2.02 0.22 -0.56 117.35 127.00 3nkw s TYR 82 Ca 0.10 -0.65 -0.30 0.00 -0.37 0.00 0.00 57.07 55.84 3nkw s TYR 82 Cb -0.12 -2.09 -0.07 0.00 -0.40 0.00 0.00 41.96 39.28 3nkw s TYR 82 CO 0.01 -0.37 1.63 -2.00 -1.57 0.00 0.00 175.55 173.25 3nkw s GLU 83 N 1.20 4.20 0.00 -0.62 2.12 -0.81 -0.71 118.70 124.09 3nkw s GLU 83 Ca 0.03 2.24 0.00 0.00 0.36 0.00 0.00 54.97 57.60 3nkw s GLU 83 Cb -0.14 -3.77 0.00 0.00 0.26 0.00 0.00 34.13 30.48 3nkw s GLU 83 CO 0.00 -0.76 0.00 0.41 -0.54 0.00 0.00 175.26 174.37 3nkw n GLY 84 N 4.02 0.29 0.25 -1.50 0.00 -0.61 -4.54 105.19 103.11 3nkw n GLY 84 Ca 0.16 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.34 3nkw n GLY 84 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3nkw h ARG 85 N 0.00 0.00 0.00 1.61 3.08 -1.25 -3.48 114.38 114.34 3nkw h ARG 85 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3nkw h ARG 85 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3nkw h ARG 85 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3nkw n GLY 86 N 0.43 -1.88 0.23 0.04 0.00 -0.64 -3.71 105.19 99.65 3nkw n GLY 86 Ca 0.02 -1.72 0.13 0.00 0.00 0.00 0.00 46.02 44.44 3nkw n GLY 86 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3nkw h TRP 87 N 0.00 0.00 0.00 1.61 4.06 -1.96 -3.37 115.95 116.30 3nkw h TRP 87 Ca 0.00 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 3nkw h TRP 87 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 3nkw h TRP 87 CO 0.00 0.05 -1.60 0.09 -3.56 0.00 0.00 178.44 173.42 3nkw n ASN 88 N -3.12 2.25 -4.71 -3.49 3.02 -1.26 -4.83 115.26 103.12 3nkw n ASN 88 Ca 0.03 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.22 3nkw n ASN 88 Cb 0.48 1.37 -0.08 0.00 -0.61 0.00 0.00 39.78 40.94 3nkw n ASN 88 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3nkw s ILE 89 N -2.70 5.33 0.09 2.41 1.09 -1.24 -0.31 121.20 125.86 3nkw s ILE 89 Ca -0.05 0.39 -0.36 0.00 -1.10 0.00 0.00 60.65 59.53 3nkw s ILE 89 Cb 0.07 -3.57 -0.16 0.00 -1.06 0.00 0.00 42.46 37.73 3nkw s ILE 89 CO 0.49 0.37 1.38 1.17 -0.10 0.00 0.00 174.94 178.25 3nkw n LYS 90 N 3.84 1.28 -2.51 2.79 4.81 -0.70 -4.67 118.16 123.00 3nkw n LYS 90 Ca -0.13 0.46 -0.22 0.00 -0.87 0.00 0.00 58.31 57.55 3nkw n LYS 90 Cb 0.52 -2.12 0.05 0.00 0.02 0.00 0.00 35.03 33.49 3nkw n LYS 90 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3nkw s GLY 91 N 0.60 1.79 -0.47 3.14 0.00 -1.26 -4.94 107.32 106.17 3nkw s GLY 91 Ca 0.84 -1.21 0.03 0.00 0.00 0.00 0.00 44.72 44.38 3nkw s GLY 91 CO 0.46 -0.89 0.22 0.00 0.00 0.00 0.00 173.10 172.89 3nkw s ALA 92 N -2.91 2.91 0.00 3.20 0.00 0.34 -4.74 121.76 120.57 3nkw s ALA 92 Ca 0.58 -2.95 0.00 0.00 0.00 0.00 0.00 51.96 49.59 3nkw s ALA 92 Cb -0.10 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 20.97 3nkw s ALA 92 CO 0.40 -1.97 0.00 -2.39 0.00 0.00 0.00 175.76 171.80 3nkw n HIS 93 N 3.43 0.00 -1.43 0.00 1.44 -1.26 -4.43 115.22 112.97 3nkw n HIS 93 Ca 0.05 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.78 3nkw n HIS 93 Cb 0.34 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.47 3nkw n HIS 93 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3nkw n ALA 94 N 0.00 1.73 0.00 1.59 0.00 -1.26 -5.08 120.51 117.49 3nkw n ALA 94 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.39 3nkw n ALA 94 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.15 3nkw n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nkw n GLY 95 N -0.22 -0.34 0.24 0.00 0.00 -1.26 -4.27 105.19 99.34 3nkw n GLY 95 Ca 0.02 -1.72 0.11 0.00 0.00 0.00 0.00 46.02 44.43 3nkw n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nkw h PRO 96 N 0.00 0.00 0.00 1.61 0.13 -2.00 0.27 132.00 132.01 3nkw h PRO 96 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.99 3nkw h PRO 96 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 3nkw h PRO 96 CO 0.00 0.18 -0.64 0.00 -0.23 0.00 0.00 178.00 177.30 3nkw h THR 97 N 0.00 1.28 0.00 1.56 1.03 -2.00 -3.40 112.91 111.38 3nkw h THR 97 Ca -0.00 -2.35 -0.05 0.00 -0.01 0.00 0.00 66.41 64.00 3nkw h THR 97 Cb 0.49 2.34 -0.01 0.00 -1.07 0.00 0.00 68.15 69.90 3nkw h THR 97 CO 0.02 0.63 -1.58 0.79 -0.01 0.00 0.00 175.52 175.38 3nkw n TRP 98 N -3.51 0.00 -0.29 0.00 7.02 -0.69 -4.66 117.44 115.31 3nkw n TRP 98 Ca -0.00 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.52 3nkw n TRP 98 Cb 0.70 -0.33 0.25 0.00 -2.42 0.00 0.00 31.31 29.51 3nkw n TRP 98 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 3nkw h ASN 99 N 0.00 0.89 0.27 -0.99 2.35 -0.72 -2.58 115.58 114.79 3nkw h ASN 99 Ca -0.07 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3nkw h ASN 99 Cb 0.80 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.99 3nkw h ASN 99 CO 0.00 0.57 -0.10 -0.81 -1.65 0.00 0.00 177.43 175.45 3nkw n PRO 100 N -4.49 0.85 -0.00 0.81 -0.04 -1.26 -4.00 135.00 126.87 3nkw n PRO 100 Ca 0.13 -0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 3nkw n PRO 100 Cb 0.20 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 3nkw n PRO 100 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3nkw n ILE 101 N -0.80 0.59 -4.32 0.52 -5.35 -0.99 -4.57 119.36 104.44 3nkw n ILE 101 Ca 0.16 -0.79 -0.18 0.00 -0.27 0.00 0.00 62.75 61.66 3nkw n ILE 101 Cb 0.28 0.71 -0.09 0.00 -1.74 0.00 0.00 39.64 38.79 3nkw n ILE 101 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3nkw s SER 102 N -0.60 1.42 -0.11 7.28 1.04 -1.10 -3.24 113.70 118.41 3nkw s SER 102 Ca 0.00 -1.54 0.01 0.00 0.48 0.00 0.00 55.95 54.90 3nkw s SER 102 Cb 0.00 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 3nkw s SER 102 CO 0.00 -0.88 -0.12 -0.63 0.98 0.00 0.00 173.24 172.60 3nkw s ILE 103 N -3.65 3.22 -0.26 -1.02 -1.09 -0.29 -4.79 121.20 113.31 3nkw s ILE 103 Ca 0.36 -0.63 -0.08 0.00 -2.23 0.00 0.00 60.65 58.07 3nkw s ILE 103 Cb 0.05 -2.33 -0.03 0.00 -1.58 0.00 0.00 42.46 38.57 3nkw s ILE 103 CO 0.17 0.55 0.11 -0.83 -1.23 0.00 0.00 174.94 173.70 3nkw s GLY 104 N -0.05 1.81 -0.02 6.18 0.00 -1.26 -0.73 107.32 113.25 3nkw s GLY 104 Ca -0.02 -1.14 0.04 0.00 0.00 0.00 0.00 44.72 43.61 3nkw s GLY 104 CO 0.04 0.58 -0.14 -0.26 0.00 0.00 0.00 173.10 173.31 3nkw s ILE 105 N 1.65 3.08 -0.06 0.90 -4.36 -0.82 -1.35 121.20 120.25 3nkw s ILE 105 Ca 0.06 -0.84 0.02 0.00 -0.26 0.00 0.00 60.65 59.63 3nkw s ILE 105 Cb -0.15 -2.25 0.01 0.00 1.25 0.00 0.00 42.46 41.32 3nkw s ILE 105 CO 0.06 0.50 -0.10 -0.55 0.24 0.00 0.00 174.94 175.09 3nkw s SER 106 N -1.00 1.55 -0.13 4.36 0.15 -0.77 -1.28 113.70 116.59 3nkw s SER 106 Ca 0.13 -0.25 -0.23 0.00 0.70 0.00 0.00 55.95 56.30 3nkw s SER 106 Cb -0.11 -0.70 -0.03 0.00 -1.71 0.00 0.00 66.02 63.48 3nkw s SER 106 CO 0.03 0.02 0.71 -0.36 1.20 0.00 0.00 173.24 174.84 3nkw s PHE 107 N 0.66 3.48 -0.37 3.44 0.08 -0.83 -0.08 117.98 124.36 3nkw s PHE 107 Ca -0.13 1.16 -0.29 0.00 0.12 0.00 0.00 56.93 57.79 3nkw s PHE 107 Cb -0.15 -2.85 0.00 0.00 -0.57 0.00 0.00 43.02 39.46 3nkw s PHE 107 CO 0.03 -0.06 1.41 -1.64 -0.10 0.00 0.00 175.22 174.86 3nkw s MET 108 N 1.41 3.66 0.00 0.44 -1.94 -0.53 -0.94 119.30 121.40 3nkw s MET 108 Ca 0.35 1.06 0.00 0.00 -1.71 0.00 0.00 55.69 55.40 3nkw s MET 108 Cb -0.17 -3.99 0.00 0.00 2.01 0.00 0.00 34.83 32.68 3nkw s MET 108 CO 0.14 -1.45 0.00 0.41 -0.01 0.00 0.00 175.02 174.11 3nkw n GLY 109 N 4.88 0.82 3.19 -0.03 0.00 -1.23 -4.34 105.19 108.48 3nkw n GLY 109 Ca 0.16 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.73 3nkw n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3nkw s ASN 110 N -1.98 5.02 -0.50 1.61 3.84 -1.22 -1.10 114.94 120.61 3nkw s ASN 110 Ca 0.00 -1.29 0.02 0.00 0.21 0.00 0.00 52.86 51.80 3nkw s ASN 110 Cb 0.00 -1.76 0.55 0.00 -0.55 0.00 0.00 41.25 39.49 3nkw s ASN 110 CO 0.00 -0.30 1.86 -1.22 -2.79 0.00 0.00 177.10 174.66 3nkw n TYR 111 N 4.67 2.87 0.33 0.43 4.01 -1.26 -4.36 117.16 123.85 3nkw n TYR 111 Ca -0.12 -2.30 -0.14 0.00 -0.16 0.00 0.00 57.90 55.18 3nkw n TYR 111 Cb 0.43 -1.05 -0.07 0.00 -0.31 0.00 0.00 39.34 38.35 3nkw n TYR 111 CO 0.00 0.00 0.00 1.98 -0.46 0.00 0.00 176.86 178.38 3nkw h MET 112 N 1.46 -0.83 -0.98 -0.72 4.05 -1.86 -2.42 114.93 113.62 3nkw h MET 112 Ca 0.56 0.06 -0.49 0.00 -0.28 0.00 0.00 59.70 59.55 3nkw h MET 112 Cb 1.86 0.19 -0.42 0.00 -0.80 0.00 0.00 31.60 32.43 3nkw h MET 112 CO 1.18 -0.53 -0.89 0.27 0.23 0.00 0.00 176.91 177.17 3nkw n ASN 113 N -5.36 3.84 -4.02 1.39 0.23 -1.26 -2.57 115.26 107.50 3nkw n ASN 113 Ca -0.11 -3.32 -0.15 0.00 -0.53 0.00 0.00 54.58 50.47 3nkw n ASN 113 Cb 0.35 -0.43 -0.13 0.00 -2.08 0.00 0.00 39.78 37.50 3nkw n ASN 113 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 3nkw s ARG 114 N -3.55 0.51 -0.07 -3.83 0.52 -1.26 -5.07 118.95 106.20 3nkw s ARG 114 Ca 0.43 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 55.13 3nkw s ARG 114 Cb 0.40 -0.38 -0.03 0.00 0.52 0.00 0.00 34.95 35.46 3nkw s ARG 114 CO -0.05 0.09 -0.05 0.54 0.02 0.00 0.00 175.30 175.85 3nkw s VAL 115 N -0.80 3.89 0.47 3.52 0.11 -1.26 -4.29 120.40 122.05 3nkw s VAL 115 Ca -0.04 -0.41 -0.22 0.00 -2.93 0.00 0.00 61.98 58.38 3nkw s VAL 115 Cb -0.06 -2.61 -0.07 0.00 -1.53 0.00 0.00 36.38 32.10 3nkw s VAL 115 CO 0.00 0.60 1.11 -2.16 -3.33 0.00 0.00 175.10 171.32 3nkw s PRO 116 N -0.85 3.74 0.71 1.54 0.04 -1.26 -5.00 135.00 133.92 3nkw s PRO 116 Ca 0.13 1.62 -0.16 0.00 0.04 0.00 0.00 61.00 62.63 3nkw s PRO 116 Cb -0.11 -2.28 0.03 0.00 0.04 0.00 0.00 34.50 32.18 3nkw s PRO 116 CO 0.02 -0.53 1.24 -1.25 0.04 0.00 0.00 177.00 176.52 3nkw s PRO 117 N -2.90 2.18 0.44 0.56 0.04 -1.26 -4.83 135.00 129.24 3nkw s PRO 117 Ca 0.65 1.88 0.19 0.00 0.04 0.00 0.00 61.00 63.76 3nkw s PRO 117 Cb -0.24 -1.82 1.13 0.00 0.04 0.00 0.00 34.50 33.60 3nkw s PRO 117 CO 0.29 -1.83 1.89 -1.35 0.04 0.00 0.00 177.00 176.04 3nkw h PRO 118 N -0.10 0.34 0.00 0.56 0.11 -1.98 -0.98 132.00 129.95 3nkw h PRO 118 Ca -0.49 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 3nkw h PRO 118 Cb 1.31 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3nkw h PRO 118 CO 0.50 0.22 -0.18 0.07 -0.21 0.00 0.00 178.00 178.40 3nkw h ARG 119 N 0.35 0.00 -0.07 1.05 0.11 -1.93 0.45 114.38 114.34 3nkw h ARG 119 Ca 0.41 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 60.26 3nkw h ARG 119 Cb 1.08 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.17 3nkw h ARG 119 CO -0.13 0.18 -0.88 0.00 0.10 0.00 0.00 179.97 179.25 3nkw h ALA 120 N 1.82 0.31 -0.24 0.08 0.00 -1.42 -2.54 119.26 117.27 3nkw h ALA 120 Ca -0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 54.91 54.16 3nkw h ALA 120 Cb 0.33 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3nkw h ALA 120 CO 0.02 0.72 -0.29 -0.07 0.00 0.00 0.00 179.25 179.63 3nkw h LEU 121 N 0.41 0.48 -0.33 0.00 3.38 -0.89 -2.69 115.31 115.68 3nkw h LEU 121 Ca -0.08 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 3nkw h LEU 121 Cb 1.50 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 3nkw h LEU 121 CO 0.17 0.76 0.08 -0.09 0.09 0.00 0.00 178.44 179.44 3nkw h ARG 122 N 0.41 0.52 -0.80 1.13 2.43 -0.18 -2.71 114.38 115.19 3nkw h ARG 122 Ca 0.05 -0.13 0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3nkw h ARG 122 Cb 0.72 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 3nkw h ARG 122 CO 0.06 0.59 0.53 0.00 -1.51 0.00 0.00 179.97 179.63 3nkw h ALA 123 N 0.91 1.51 -0.02 2.80 0.00 -1.20 -1.25 119.26 122.01 3nkw h ALA 123 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3nkw h ALA 123 Cb 0.30 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3nkw h ALA 123 CO 0.00 0.42 -0.02 0.00 0.00 0.00 0.00 179.25 179.65 3nkw h ALA 124 N 1.53 0.03 -0.87 0.00 0.00 -1.42 0.14 119.26 118.68 3nkw h ALA 124 Ca 0.31 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3nkw h ALA 124 Cb 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3nkw h ALA 124 CO -0.09 -0.20 0.57 1.96 0.00 0.00 0.00 179.25 181.49 3nkw h GLN 125 N -0.42 1.11 -0.18 0.00 4.20 -1.37 0.68 115.11 119.13 3nkw h GLN 125 Ca 0.00 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.53 3nkw h GLN 125 Cb 0.51 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3nkw h GLN 125 CO 0.01 0.74 -0.39 -0.97 -0.67 0.00 0.00 178.83 177.55 3nkw h ASN 126 N 1.15 0.43 -0.42 1.46 -1.24 -1.20 -1.22 115.58 114.53 3nkw h ASN 126 Ca 0.32 -0.18 -0.07 0.00 0.71 0.00 0.00 56.30 57.08 3nkw h ASN 126 Cb -0.09 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 38.82 3nkw h ASN 126 CO -0.08 0.78 -0.03 0.25 -1.29 0.00 0.00 177.43 177.06 3nkw h LEU 127 N 0.34 0.75 -1.27 0.34 5.85 0.23 -2.49 115.31 119.07 3nkw h LEU 127 Ca 0.03 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 3nkw h LEU 127 Cb 0.84 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 3nkw h LEU 127 CO 0.07 0.89 0.33 -0.07 -0.34 0.00 0.00 178.44 179.32 3nkw h LEU 128 N 0.59 0.73 -0.49 2.25 4.07 -0.76 -0.53 115.31 121.18 3nkw h LEU 128 Ca 0.12 -0.05 -0.07 0.00 0.08 0.00 0.00 57.88 57.95 3nkw h LEU 128 Cb 0.52 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 3nkw h LEU 128 CO 0.03 0.59 0.04 0.00 -1.08 0.00 0.00 178.44 178.02 3nkw h ALA 129 N 1.53 0.66 -0.53 1.53 0.00 -1.13 -2.36 119.26 118.96 3nkw h ALA 129 Ca 0.21 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3nkw h ALA 129 Cb 0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3nkw h ALA 129 CO -0.03 0.43 0.32 0.00 0.00 0.00 0.00 179.25 179.96 3nkw h GLY 131 N 0.78 -1.18 0.16 0.00 0.00 -0.57 -1.38 103.07 100.88 3nkw h GLY 131 Ca 0.19 0.62 0.03 0.00 0.00 0.00 0.00 47.33 48.17 3nkw h GLY 131 CO -0.04 -0.31 -0.43 -2.08 0.00 0.00 0.00 176.54 173.69 3nkw h VAL 132 N -0.63 0.14 -1.12 4.60 2.07 -1.35 -2.03 116.25 117.93 3nkw h VAL 132 Ca -0.01 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.82 3nkw h VAL 132 Cb 0.63 0.14 -0.09 0.00 -1.52 0.00 0.00 31.29 30.45 3nkw h VAL 132 CO -0.22 0.00 0.73 0.00 0.02 0.00 0.00 177.57 178.10 3nkw h ALA 133 N -0.09 2.47 0.12 1.67 0.00 -1.22 -0.52 119.26 121.70 3nkw h ALA 133 Ca 0.04 0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.73 3nkw h ALA 133 Cb 0.66 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.53 3nkw h ALA 133 CO -0.31 -0.91 -1.21 1.25 0.00 0.00 0.00 179.25 178.07 3nkw h LEU 134 N 0.27 0.53 0.00 0.00 5.85 -0.55 -3.46 115.31 117.95 3nkw h LEU 134 Ca 0.63 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3nkw h LEU 134 Cb 1.83 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.69 3nkw h LEU 134 CO -0.27 1.39 0.00 0.61 -0.34 0.00 0.00 178.44 179.83 3nkw n GLY 135 N 1.43 0.83 0.23 3.75 0.00 -0.20 -4.96 105.19 106.27 3nkw n GLY 135 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 3nkw n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nkw h ALA 136 N 0.00 1.10 -3.43 4.61 0.00 -1.71 -3.34 119.26 116.49 3nkw h ALA 136 Ca 0.00 -0.35 -0.68 0.00 0.00 0.00 0.00 54.91 53.88 3nkw h ALA 136 Cb 0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 17.79 17.51 3nkw h ALA 136 CO 0.00 0.56 -0.65 -0.51 0.00 0.00 0.00 179.25 178.65 3nkw s LEU 137 N -8.62 3.43 0.31 0.00 1.43 -1.11 -0.93 118.68 113.20 3nkw s LEU 137 Ca -0.07 0.08 -0.29 0.00 -1.03 0.00 0.00 54.13 52.83 3nkw s LEU 137 Cb 0.14 -1.78 -0.10 0.00 0.03 0.00 0.00 46.19 44.48 3nkw s LEU 137 CO 0.79 0.36 1.20 -0.60 0.23 0.00 0.00 176.35 178.33 3nkw s ARG 138 N -0.79 4.46 0.28 1.70 3.52 0.56 -4.27 118.95 124.41 3nkw s ARG 138 Ca 0.12 1.99 0.01 0.00 -0.13 0.00 0.00 55.73 57.72 3nkw s ARG 138 Cb -0.11 -3.09 0.56 0.00 -1.56 0.00 0.00 34.95 30.75 3nkw s ARG 138 CO 0.02 -0.01 1.82 0.66 -0.81 0.00 0.00 175.30 176.98 3nkw h SER 139 N 3.52 0.85 -2.71 -2.12 4.64 -1.91 -2.70 113.55 113.11 3nkw h SER 139 Ca -0.48 0.06 -0.79 0.00 -0.47 0.00 0.00 61.79 60.11 3nkw h SER 139 Cb 1.22 -0.10 -0.25 0.00 -0.31 0.00 0.00 62.40 62.96 3nkw h SER 139 CO 0.66 0.42 0.99 -0.46 -0.87 0.00 0.00 176.83 177.57 3nkw n ASN 140 N -4.68 5.87 -4.89 4.97 6.94 -1.26 -5.01 115.26 117.20 3nkw n ASN 140 Ca 0.19 -3.23 -0.33 0.00 -0.02 0.00 0.00 54.58 51.19 3nkw n ASN 140 Cb 0.39 -1.36 -0.05 0.00 -2.36 0.00 0.00 39.78 36.40 3nkw n ASN 140 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 3nkw s TYR 141 N -1.48 3.52 -0.07 -2.53 -0.85 -1.02 -4.99 117.35 109.92 3nkw s TYR 141 Ca 0.34 0.61 0.01 0.00 -0.52 0.00 0.00 57.07 57.51 3nkw s TYR 141 Cb 0.02 -2.03 -0.03 0.00 0.38 0.00 0.00 41.96 40.29 3nkw s TYR 141 CO 0.04 0.49 -0.09 -1.21 -1.52 0.00 0.00 175.55 173.26 3nkw s GLU 142 N -2.31 2.76 -0.24 -3.49 2.02 -0.22 -4.83 118.70 112.38 3nkw s GLU 142 Ca 0.37 -0.59 -0.09 0.00 0.02 0.00 0.00 54.97 54.68 3nkw s GLU 142 Cb -0.13 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.51 3nkw s GLU 142 CO 0.22 0.61 0.12 0.08 0.02 0.00 0.00 175.26 176.31 3nkw s VAL 143 N -0.68 4.92 0.19 2.63 1.01 -0.65 -1.34 120.40 126.48 3nkw s VAL 143 Ca 0.10 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.19 3nkw s VAL 143 Cb -0.11 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 3nkw s VAL 143 CO 0.01 0.34 -0.03 -0.54 0.00 0.00 0.00 175.10 174.88 3nkw s LYS 144 N 1.30 2.27 -0.11 2.72 -0.14 0.66 -2.45 119.74 123.99 3nkw s LYS 144 Ca 0.06 -1.21 -0.07 0.00 -1.36 0.00 0.00 55.97 53.39 3nkw s LYS 144 Cb -0.15 -2.26 -0.04 0.00 -1.68 0.00 0.00 37.83 33.70 3nkw s LYS 144 CO 0.05 0.43 0.16 0.20 -0.76 0.00 0.00 175.35 175.44 3nkw s GLY 145 N -3.01 2.18 0.18 -3.33 0.00 -1.26 -1.82 107.32 100.26 3nkw s GLY 145 Ca 0.27 -0.61 -0.08 0.00 0.00 0.00 0.00 44.72 44.29 3nkw s GLY 145 CO 0.18 -0.35 1.09 1.57 0.00 0.00 0.00 173.10 175.59 3nkw n HIS 146 N 1.95 0.15 0.28 1.90 -0.00 -0.31 0.13 115.22 119.32 3nkw n HIS 146 Ca -0.19 0.86 0.16 0.00 0.46 0.00 0.00 57.72 59.01 3nkw n HIS 146 Cb 0.55 -0.84 0.79 0.00 -0.12 0.00 0.00 29.99 30.36 3nkw n HIS 146 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 3nkw h ARG 147 N 0.00 0.00 -0.00 1.57 0.11 -1.59 0.53 114.38 115.00 3nkw h ARG 147 Ca 0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.38 3nkw h ARG 147 Cb 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 3nkw h ARG 147 CO -0.71 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.11 3nkw n ASP 148 N -2.66 0.02 0.00 0.08 8.00 0.35 -4.17 116.55 118.17 3nkw n ASP 148 Ca -0.01 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.27 3nkw n ASP 148 Cb 0.13 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 3nkw n ASP 148 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3nkw n VAL 149 N -0.88 0.00 -4.21 2.53 0.31 -0.30 -4.98 118.33 110.79 3nkw n VAL 149 Ca 0.19 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.37 3nkw n VAL 149 Cb 0.09 -0.25 -0.11 0.00 -0.91 0.00 0.00 33.84 32.67 3nkw n VAL 149 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3nkw s GLN 150 N -1.30 0.95 -0.26 5.55 -0.21 0.03 -5.02 119.66 119.39 3nkw s GLN 150 Ca 0.00 -1.27 -0.29 0.00 0.02 0.00 0.00 55.36 53.82 3nkw s GLN 150 Cb 0.00 -0.63 0.00 0.00 1.00 0.00 0.00 33.01 33.38 3nkw s GLN 150 CO 0.00 0.10 1.20 -1.25 -2.12 0.00 0.00 175.29 173.22 3nkw s PRO 151 N -3.09 4.08 -0.24 2.91 0.04 -1.26 -4.19 135.00 133.25 3nkw s PRO 151 Ca 0.10 1.33 -0.34 0.00 0.04 0.00 0.00 61.00 62.12 3nkw s PRO 151 Cb -0.01 -3.78 0.16 0.00 0.04 0.00 0.00 34.50 30.90 3nkw s PRO 151 CO 0.01 -0.90 1.28 -0.08 0.04 0.00 0.00 177.00 177.35 3nkw s THR 152 N 3.82 0.00 -0.15 1.26 -1.32 -1.26 -5.02 115.64 112.96 3nkw s THR 152 Ca 0.52 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 61.16 3nkw s THR 152 Cb -0.17 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 69.91 3nkw s THR 152 CO 0.17 0.00 1.48 -0.07 -2.21 0.00 0.00 174.62 173.99 3nkw h LEU 153 N 2.05 0.00 -9.56 9.08 3.38 -1.98 -3.40 115.31 114.87 3nkw h LEU 153 Ca -0.07 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.30 3nkw h LEU 153 Cb 1.16 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.01 3nkw h LEU 153 CO 0.22 0.45 0.41 -0.24 0.09 0.00 0.00 178.44 179.37 3nkw n SER 154 N -3.23 2.18 -1.97 -0.43 2.88 -1.26 -0.44 113.62 111.34 3nkw n SER 154 Ca 0.02 1.17 -0.21 0.00 -1.33 0.00 0.00 58.87 58.52 3nkw n SER 154 Cb 0.70 -1.38 0.09 0.00 -0.75 0.00 0.00 64.21 62.88 3nkw n SER 154 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3nkw n PRO 155 N 1.25 2.03 0.00 -1.46 -0.04 -1.26 -2.12 135.00 133.40 3nkw n PRO 155 Ca 0.10 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.35 3nkw n PRO 155 Cb 0.32 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 3nkw n PRO 155 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3nkw n GLY 156 N -0.42 -2.75 0.11 0.55 0.00 0.42 -4.21 105.19 98.89 3nkw n GLY 156 Ca 0.43 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 3nkw n GLY 156 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3nkw h ASP 157 N 0.00 -0.17 -0.20 1.61 3.32 -1.59 0.39 116.42 119.79 3nkw h ASP 157 Ca 0.00 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.91 3nkw h ASP 157 Cb 0.00 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3nkw h ASP 157 CO 0.00 -0.09 -0.27 0.03 -1.72 0.00 0.00 179.24 177.19 3nkw h ARG 158 N -0.23 0.68 -0.41 3.56 3.08 -1.16 -1.79 114.38 118.11 3nkw h ARG 158 Ca -0.02 -0.29 -0.07 0.00 0.07 0.00 0.00 59.98 59.67 3nkw h ARG 158 Cb 0.18 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3nkw h ARG 158 CO 0.03 0.88 -0.01 1.25 -1.07 0.00 0.00 179.97 181.05 3nkw h LEU 159 N 0.59 0.72 -1.02 3.04 5.85 -1.40 -3.22 115.31 119.86 3nkw h LEU 159 Ca 0.08 -0.31 0.12 0.00 0.84 0.00 0.00 57.88 58.60 3nkw h LEU 159 Cb 0.77 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.52 3nkw h LEU 159 CO 0.06 0.86 0.63 0.22 -0.34 0.00 0.00 178.44 179.87 3nkw h TYR 160 N 0.56 1.13 -0.54 1.25 3.20 -0.46 -2.76 116.97 119.35 3nkw h TYR 160 Ca 0.11 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.08 3nkw h TYR 160 Cb 0.50 -0.36 -0.05 0.00 1.54 0.00 0.00 36.73 38.36 3nkw h TYR 160 CO 0.04 0.45 0.24 0.93 -1.64 0.00 0.00 178.16 178.18 3nkw h GLU 161 N 0.99 0.45 -0.16 1.82 5.08 -1.34 -3.06 114.58 118.35 3nkw h GLU 161 Ca 0.49 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.85 3nkw h GLU 161 Cb 0.50 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3nkw h GLU 161 CO -0.26 0.30 0.01 0.82 -1.00 0.00 0.00 179.01 178.88 3nkw h ILE 162 N 0.47 0.91 0.00 3.13 5.03 -1.60 -3.04 117.51 122.40 3nkw h ILE 162 Ca 0.25 -0.03 0.00 0.00 -0.12 0.00 0.00 64.86 64.96 3nkw h ILE 162 Cb 0.21 0.83 0.00 0.00 -3.03 0.00 0.00 36.82 34.83 3nkw h ILE 162 CO -0.20 0.01 0.00 2.30 -0.68 0.00 0.00 178.15 179.58 3nkw n ILE 163 N -5.11 0.98 0.10 -0.67 -5.35 -1.16 0.41 119.36 108.55 3nkw n ILE 163 Ca -0.03 0.25 -0.05 0.00 -0.27 0.00 0.00 62.75 62.65 3nkw n ILE 163 Cb 0.08 -1.07 0.03 0.00 -1.74 0.00 0.00 39.64 36.95 3nkw n ILE 163 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 3nkw h GLN 164 N 0.00 0.07 -0.26 6.28 4.20 -1.58 -2.95 115.11 120.87 3nkw h GLN 164 Ca 0.00 -0.08 0.08 0.00 0.06 0.00 0.00 58.65 58.71 3nkw h GLN 164 Cb 0.27 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3nkw h GLN 164 CO 0.00 0.84 0.22 1.15 -0.67 0.00 0.00 178.83 180.37 3nkw h THR 165 N 0.04 0.68 -3.42 -0.54 2.02 -0.13 -3.46 112.91 108.11 3nkw h THR 165 Ca -0.02 0.00 -0.52 0.00 0.77 0.00 0.00 66.41 66.64 3nkw h THR 165 Cb 1.42 0.84 0.04 0.00 -1.74 0.00 0.00 68.15 68.71 3nkw h THR 165 CO 0.11 0.00 0.69 0.26 0.37 0.00 0.00 175.52 176.95 3nkw s TRP 166 N -4.86 3.16 0.25 3.16 0.52 -1.12 -4.92 118.94 115.14 3nkw s TRP 166 Ca -0.05 1.17 -0.09 0.00 0.02 0.00 0.00 56.10 57.16 3nkw s TRP 166 Cb 0.17 -3.68 0.40 0.00 -1.15 0.00 0.00 33.47 29.21 3nkw s TRP 166 CO 0.64 -2.14 1.44 0.45 0.02 0.00 0.00 176.95 177.37 3nkw n SER 167 N 2.38 -0.37 -0.78 2.95 2.88 -1.26 -1.56 113.62 117.86 3nkw n SER 167 Ca 0.06 1.60 0.12 0.00 -1.33 0.00 0.00 58.87 59.31 3nkw n SER 167 Cb 0.42 -0.47 0.31 0.00 -0.75 0.00 0.00 64.21 63.72 3nkw n SER 167 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3nkw n HIS 168 N -5.49 0.19 -2.23 0.66 8.25 -1.26 -4.93 115.22 110.42 3nkw n HIS 168 Ca 0.14 -0.10 -0.42 0.00 -0.26 0.00 0.00 57.72 57.08 3nkw n HIS 168 Cb 0.45 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.54 3nkw n HIS 168 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3nkw s TYR 169 N -1.81 2.59 0.30 4.41 5.04 -0.60 -1.64 117.35 125.64 3nkw s TYR 169 Ca 0.34 0.70 0.10 0.00 -2.44 0.00 0.00 57.07 55.77 3nkw s TYR 169 Cb 0.20 -3.68 -0.05 0.00 0.35 0.00 0.00 41.96 38.78 3nkw s TYR 169 CO 0.30 -2.61 -0.05 0.50 -1.34 0.00 0.00 175.55 172.35 3nkw s ARG 170 N 3.24 2.06 0.00 4.97 6.06 -1.03 -4.90 118.95 129.35 3nkw s ARG 170 Ca 0.64 -1.62 0.00 0.00 -2.50 0.00 0.00 55.73 52.24 3nkw s ARG 170 Cb -0.29 -1.98 0.00 0.00 0.06 0.00 0.00 34.95 32.74 3nkw s ARG 170 CO 0.24 0.27 0.00 0.00 -2.50 0.00 0.00 175.30 173.31