#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nkw n ASP 2 N 0.00 -7.67 0.00 4.31 9.92 -1.26 -5.04 116.55 116.81 3nkw n ASP 2 Ca 0.00 0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 3nkw n ASP 2 Cb 0.00 -5.11 0.00 0.00 -0.64 0.00 0.00 41.12 35.37 3nkw n ASP 2 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 3nkw n PRO 3 N -1.47 1.35 -2.18 -0.24 -0.04 -1.26 -4.55 135.00 126.61 3nkw n PRO 3 Ca 0.01 -1.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.13 3nkw n PRO 3 Cb 0.50 -0.90 0.00 0.00 -0.04 0.00 0.00 33.50 33.07 3nkw n PRO 3 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3nkw s PRO 4 N -0.54 3.41 -1.63 0.54 0.04 -1.26 -4.48 135.00 131.08 3nkw s PRO 4 Ca 0.00 1.31 -0.18 0.00 0.04 0.00 0.00 61.00 62.17 3nkw s PRO 4 Cb 0.00 -2.04 0.16 0.00 0.04 0.00 0.00 34.50 32.66 3nkw s PRO 4 CO 0.00 -0.75 0.70 0.00 0.04 0.00 0.00 177.00 176.99 3nkw n ALA 5 N -1.70 -1.21 -1.00 8.56 0.00 -1.26 -4.78 120.51 119.12 3nkw n ALA 5 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3nkw n ALA 5 Cb 0.52 -3.20 0.00 0.00 0.00 0.00 0.00 19.45 16.78 3nkw n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3nkw n GLY 7 N 1.73 3.65 3.18 0.00 0.00 -1.26 -5.01 105.19 107.47 3nkw n GLY 7 Ca 0.00 -2.13 -0.39 0.00 0.00 0.00 0.00 46.02 43.49 3nkw n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3nkw s SER 8 N -0.71 5.61 -0.11 1.61 1.04 -1.26 -5.06 113.70 114.82 3nkw s SER 8 Ca 0.00 -2.29 0.00 0.00 0.48 0.00 0.00 55.95 54.14 3nkw s SER 8 Cb 0.00 -1.96 -0.02 0.00 0.10 0.00 0.00 66.02 64.14 3nkw s SER 8 CO 0.00 -0.56 -0.11 -0.63 0.98 0.00 0.00 173.24 172.92 3nkw s ILE 9 N 0.78 3.28 -0.45 -1.02 1.01 -1.26 -4.10 121.20 119.44 3nkw s ILE 9 Ca 0.11 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 59.87 3nkw s ILE 9 Cb -0.22 -2.37 0.03 0.00 0.01 0.00 0.00 42.46 39.91 3nkw s ILE 9 CO -0.03 0.54 1.15 -0.69 0.00 0.00 0.00 174.94 175.91 3nkw s VAL 10 N -0.02 4.23 0.78 2.92 1.01 0.13 -4.92 120.40 124.53 3nkw s VAL 10 Ca -0.02 1.29 -0.11 0.00 0.00 0.00 0.00 61.98 63.14 3nkw s VAL 10 Cb -0.14 -4.55 0.06 0.00 0.00 0.00 0.00 36.38 31.75 3nkw s VAL 10 CO 0.04 -0.91 1.10 -2.16 0.00 0.00 0.00 175.10 173.16 3nkw s PRO 11 N 4.36 2.20 0.11 2.72 0.04 -1.26 -1.02 135.00 142.14 3nkw s PRO 11 Ca 0.48 1.21 -0.32 0.00 0.04 0.00 0.00 61.00 62.42 3nkw s PRO 11 Cb -0.08 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.45 3nkw s PRO 11 CO 0.29 -1.69 1.51 0.00 0.04 0.00 0.00 177.00 177.15 3nkw h ARG 12 N -1.11 -0.52 -0.90 4.56 3.08 -1.94 -1.81 114.38 115.73 3nkw h ARG 12 Ca -0.44 0.04 0.11 0.00 0.07 0.00 0.00 59.98 59.75 3nkw h ARG 12 Cb 1.23 0.12 -0.12 0.00 0.08 0.00 0.00 29.97 31.28 3nkw h ARG 12 CO 0.51 -0.35 -0.46 0.54 -1.07 0.00 0.00 179.97 179.14 3nkw n ARG 13 N -5.23 -0.32 -0.35 0.04 3.00 -1.26 -0.50 116.66 112.04 3nkw n ARG 13 Ca -0.06 1.37 0.06 0.00 -0.01 0.00 0.00 57.85 59.22 3nkw n ARG 13 Cb 0.35 -2.03 0.23 0.00 0.00 0.00 0.00 32.46 31.02 3nkw n ARG 13 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3nkw h GLU 14 N 0.00 1.00 -0.37 5.56 4.81 -1.71 0.18 114.58 124.05 3nkw h GLU 14 Ca 0.21 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3nkw h GLU 14 Cb 0.44 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3nkw h GLU 14 CO -0.87 0.66 0.00 -2.67 -0.73 0.00 0.00 179.01 175.40 3nkw n TRP 15 N -4.57 0.49 -3.30 0.92 4.27 0.00 -4.97 117.44 110.28 3nkw n TRP 15 Ca 0.17 -0.24 -0.14 0.00 -3.89 0.00 0.00 57.50 53.40 3nkw n TRP 15 Cb 0.30 0.00 0.04 0.00 -1.36 0.00 0.00 31.31 30.30 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 0.61 -1.78 -1.90 -2.67 5.12 0.64 -4.75 116.66 111.93 3nkw n ARG 16 Ca 0.13 0.96 -0.30 0.00 -1.93 0.00 0.00 57.85 56.71 3nkw n ARG 16 Cb 0.33 -5.35 0.03 0.00 -1.16 0.00 0.00 32.46 26.31 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 -3.28 3.02 0.40 7.54 0.00 -1.03 -4.94 121.76 123.46 3nkw s ALA 17 Ca 0.32 -0.22 -0.23 0.00 0.00 0.00 0.00 51.96 51.83 3nkw s ALA 17 Cb -0.06 -3.04 -0.10 0.00 0.00 0.00 0.00 23.12 19.92 3nkw s ALA 17 CO 0.77 -0.88 0.97 -0.51 0.00 0.00 0.00 175.76 176.10 3nkw s LEU 18 N -5.25 4.08 -0.14 0.00 1.43 -1.26 -4.90 118.68 112.64 3nkw s LEU 18 Ca 0.56 1.80 -0.37 0.00 -1.03 0.00 0.00 54.13 55.09 3nkw s LEU 18 Cb -0.11 -4.33 -0.14 0.00 0.03 0.00 0.00 46.19 41.64 3nkw s LEU 18 CO 0.53 -0.31 1.78 0.00 0.23 0.00 0.00 176.35 178.57 3nkw n ALA 19 N -0.21 0.36 -1.67 4.21 0.00 -1.26 -4.94 120.51 117.00 3nkw n ALA 19 Ca 0.05 0.35 -0.37 0.00 0.00 0.00 0.00 53.44 53.47 3nkw n ALA 19 Cb 0.52 -2.35 0.06 0.00 0.00 0.00 0.00 19.45 17.68 3nkw n ALA 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3nkw n SER 20 N 5.69 1.47 -0.06 0.00 2.88 -1.26 -4.92 113.62 117.42 3nkw n SER 20 Ca 0.24 0.83 0.02 0.00 -1.33 0.00 0.00 58.87 58.63 3nkw n SER 20 Cb 0.22 -1.48 0.03 0.00 -0.75 0.00 0.00 64.21 62.24 3nkw n SER 20 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3nkw n GLU 21 N -1.42 1.84 -2.47 -1.46 1.02 -0.24 -5.03 120.64 112.87 3nkw n GLU 21 Ca 0.15 -1.56 -0.41 0.00 -0.02 0.00 0.00 57.16 55.31 3nkw n GLU 21 Cb 0.47 -1.00 -0.04 0.00 -0.02 0.00 0.00 31.44 30.86 3nkw n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3nkw n ARG 23 N 2.64 2.46 -2.47 0.00 1.74 -1.26 -5.05 116.66 114.72 3nkw n ARG 23 Ca 0.04 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.72 3nkw n ARG 23 Cb 0.46 -0.97 -0.04 0.00 -1.02 0.00 0.00 32.46 30.89 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 -1.92 4.64 0.17 5.56 2.02 -1.26 -5.00 118.70 122.91 3nkw s GLU 24 Ca 0.00 1.81 0.11 0.00 0.02 0.00 0.00 54.97 56.90 3nkw s GLU 24 Cb 0.00 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 3nkw s GLU 24 CO 0.00 0.21 -0.22 1.03 0.02 0.00 0.00 175.26 176.30 3nkw s ARG 25 N -1.42 1.59 0.28 1.61 0.52 -1.26 -1.36 118.95 118.91 3nkw s ARG 25 Ca 0.45 -1.41 -0.03 0.00 -0.52 0.00 0.00 55.73 54.21 3nkw s ARG 25 Cb -0.32 -1.93 -0.05 0.00 0.52 0.00 0.00 34.95 33.17 3nkw s ARG 25 CO 0.41 0.43 0.52 -0.51 0.02 0.00 0.00 175.30 176.17 3nkw s LEU 26 N -2.49 4.08 -0.51 2.53 1.43 0.94 -4.63 118.68 120.03 3nkw s LEU 26 Ca 0.19 0.61 -0.17 0.00 -1.03 0.00 0.00 54.13 53.73 3nkw s LEU 26 Cb -0.09 -3.43 0.08 0.00 0.03 0.00 0.00 46.19 42.79 3nkw s LEU 26 CO 0.10 -0.18 0.54 -0.89 0.23 0.00 0.00 176.35 176.14 3nkw s THR 27 N -2.08 5.04 0.52 5.49 2.01 -1.26 -4.90 115.64 120.47 3nkw s THR 27 Ca 0.42 -0.93 -0.21 0.00 0.31 0.00 0.00 61.69 61.28 3nkw s THR 27 Cb -0.11 -4.27 -0.06 0.00 0.01 0.00 0.00 72.50 68.07 3nkw s THR 27 CO 0.31 -0.79 1.19 -0.13 -0.69 0.00 0.00 174.62 174.51 3nkw s ARG 28 N 2.13 3.44 0.38 4.92 0.52 -1.26 -3.94 118.95 125.14 3nkw s ARG 28 Ca 0.09 1.80 -0.24 0.00 -0.52 0.00 0.00 55.73 56.86 3nkw s ARG 28 Cb -0.23 -2.20 -0.10 0.00 0.52 0.00 0.00 34.95 32.94 3nkw s ARG 28 CO 0.08 -0.82 0.99 -1.25 0.02 0.00 0.00 175.30 174.31 3nkw s PRO 29 N -2.98 4.31 0.07 3.54 0.04 -1.25 -5.09 135.00 133.65 3nkw s PRO 29 Ca 0.69 1.35 -0.21 0.00 0.04 0.00 0.00 61.00 62.88 3nkw s PRO 29 Cb -0.29 -2.53 -0.07 0.00 0.04 0.00 0.00 34.50 31.65 3nkw s PRO 29 CO 0.34 0.02 0.61 0.08 0.04 0.00 0.00 177.00 178.09 3nkw s VAL 30 N -1.78 4.71 -0.08 -0.36 1.01 0.17 -4.64 120.40 119.44 3nkw s VAL 30 Ca 0.56 1.30 0.14 0.00 0.00 0.00 0.00 61.98 63.99 3nkw s VAL 30 Cb -0.17 -3.94 -0.21 0.00 0.00 0.00 0.00 36.38 32.05 3nkw s VAL 30 CO 0.22 0.53 0.65 -1.14 0.00 0.00 0.00 175.10 175.36 3nkw n ARG 31 N 1.87 0.63 -4.64 2.72 0.63 -1.26 -0.27 116.66 116.34 3nkw n ARG 31 Ca -0.09 0.25 -0.30 0.00 -0.92 0.00 0.00 57.85 56.79 3nkw n ARG 31 Cb 0.50 -1.77 -0.13 0.00 0.45 0.00 0.00 32.46 31.51 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 -2.68 2.39 -0.05 -0.14 2.02 -1.22 -1.30 117.35 116.38 3nkw s TYR 32 Ca -0.05 -0.36 0.01 0.00 -0.37 0.00 0.00 57.07 56.31 3nkw s TYR 32 Cb 0.08 -1.36 0.02 0.00 -0.40 0.00 0.00 41.96 40.30 3nkw s TYR 32 CO 0.82 0.24 -0.06 0.08 -1.57 0.00 0.00 175.55 175.06 3nkw s VAL 33 N -0.94 0.65 -0.21 0.71 1.01 -0.46 -1.23 120.40 119.93 3nkw s VAL 33 Ca 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 3nkw s VAL 33 Cb -0.10 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.64 3nkw s VAL 33 CO 0.05 0.25 -0.10 -0.69 0.00 0.00 0.00 175.10 174.60 3nkw s VAL 34 N 0.88 2.80 -0.17 2.92 1.01 -0.78 0.19 120.40 127.24 3nkw s VAL 34 Ca -0.12 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 60.92 3nkw s VAL 34 Cb -0.15 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3nkw s VAL 34 CO 0.01 0.42 0.48 -0.69 0.00 0.00 0.00 175.10 175.32 3nkw s VAL 35 N 1.38 5.15 0.34 2.92 1.01 0.20 -2.58 120.40 128.83 3nkw s VAL 35 Ca 0.04 0.91 0.04 0.00 0.00 0.00 0.00 61.98 62.98 3nkw s VAL 35 Cb -0.14 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 3nkw s VAL 35 CO -0.07 0.24 0.05 -0.94 0.00 0.00 0.00 175.10 174.38 3nkw s SER 36 N 0.95 2.64 0.20 3.32 1.04 -0.94 0.41 113.70 121.31 3nkw s SER 36 Ca 0.24 -1.39 0.11 0.00 0.48 0.00 0.00 55.95 55.38 3nkw s SER 36 Cb -0.15 -0.11 -0.04 0.00 0.10 0.00 0.00 66.02 65.82 3nkw s SER 36 CO 0.09 -0.60 -0.22 -1.38 0.98 0.00 0.00 173.24 172.12 3nkw s HIS 37 N -3.20 2.14 0.06 5.02 -3.43 -1.26 -1.38 115.29 113.24 3nkw s HIS 37 Ca 0.36 -0.39 0.30 0.00 -0.80 0.00 0.00 55.06 54.52 3nkw s HIS 37 Cb 0.09 -1.05 1.13 0.00 -1.43 0.00 0.00 32.58 31.32 3nkw s HIS 37 CO 0.16 0.47 1.90 1.79 -2.00 0.00 0.00 174.74 177.06 3nkw h THR 38 N 3.09 0.18 0.00 -5.38 1.35 -1.33 -3.45 112.91 107.37 3nkw h THR 38 Ca -0.44 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 3nkw h THR 38 Cb 1.21 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 3nkw h THR 38 CO 0.51 0.07 0.00 0.00 -0.25 0.00 0.00 175.52 175.85 3nkw n ALA 39 N -2.13 0.00 -1.33 6.62 0.00 -0.92 -4.87 120.51 117.88 3nkw n ALA 39 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3nkw n ALA 39 Cb 0.37 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 -2.00 0.20 3.91 0.00 0.00 -1.26 -4.63 105.19 101.41 3nkw n GLY 40 Ca 0.00 -1.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.00 3nkw n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3nkw s SER 41 N -1.00 5.89 0.78 1.61 1.04 -1.26 -1.65 113.70 119.10 3nkw s SER 41 Ca 0.00 0.80 -0.05 0.00 0.48 0.00 0.00 55.95 57.18 3nkw s SER 41 Cb 0.00 -1.94 0.12 0.00 0.10 0.00 0.00 66.02 64.30 3nkw s SER 41 CO 0.00 -0.85 0.75 0.00 0.98 0.00 0.00 173.24 174.12 3nkw n HIS 42 N -2.44 -3.48 -3.57 5.02 1.44 -1.26 -3.57 115.22 107.36 3nkw n HIS 42 Ca 0.03 -0.99 -0.17 0.00 -2.01 0.00 0.00 57.72 54.58 3nkw n HIS 42 Cb 0.56 -0.56 -0.07 0.00 0.12 0.00 0.00 29.99 30.05 3nkw n HIS 42 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3nkw n ASP 44 N 1.03 0.00 -3.86 0.00 5.75 -1.26 -2.04 116.55 116.18 3nkw n ASP 44 Ca -0.19 -1.79 -0.11 0.00 -0.01 0.00 0.00 54.79 52.68 3nkw n ASP 44 Cb 0.57 -0.16 -0.11 0.00 -1.03 0.00 0.00 41.12 40.39 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 -0.00 0.06 0.49 2.12 -4.23 -1.26 -4.21 115.64 108.60 3nkw s THR 45 Ca 0.00 -0.50 0.27 0.00 -1.18 0.00 0.00 61.69 60.28 3nkw s THR 45 Cb 0.00 -0.38 0.45 0.00 1.34 0.00 0.00 72.50 73.91 3nkw s THR 45 CO 0.00 -0.28 1.85 -0.65 -0.54 0.00 0.00 174.62 175.01 3nkw h PRO 46 N 4.71 0.15 -0.62 3.99 0.11 -1.96 -0.66 132.00 137.72 3nkw h PRO 46 Ca -0.29 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.76 3nkw h PRO 46 Cb 1.19 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3nkw h PRO 46 CO 0.40 0.10 0.20 0.00 -0.21 0.00 0.00 178.00 178.50 3nkw h ALA 47 N 1.56 0.81 0.08 -0.75 0.00 -2.00 -2.54 119.26 116.42 3nkw h ALA 47 Ca 0.48 -0.20 -0.28 0.00 0.00 0.00 0.00 54.91 54.91 3nkw h ALA 47 Cb 1.62 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 3nkw h ALA 47 CO -0.09 0.47 -1.49 0.66 0.00 0.00 0.00 179.25 178.80 3nkw h SER 48 N 0.88 0.27 -0.75 0.00 4.64 -1.60 -3.20 113.55 113.79 3nkw h SER 48 Ca 0.20 -0.78 0.12 0.00 -0.47 0.00 0.00 61.79 60.86 3nkw h SER 48 Cb 0.28 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.23 3nkw h SER 48 CO -0.01 1.63 0.50 0.00 -0.87 0.00 0.00 176.83 178.08 3nkw h ALA 50 N 1.64 0.82 -0.13 0.00 0.00 -1.51 -1.40 119.26 118.68 3nkw h ALA 50 Ca 0.36 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3nkw h ALA 50 Cb 0.65 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3nkw h ALA 50 CO -0.13 0.65 -0.72 0.37 0.00 0.00 0.00 179.25 179.42 3nkw h GLN 51 N 0.81 0.60 -0.79 0.00 4.15 -1.50 -2.87 115.11 115.51 3nkw h GLN 51 Ca 0.12 -0.47 0.08 0.00 0.77 0.00 0.00 58.65 59.15 3nkw h GLN 51 Cb 0.70 0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.43 3nkw h GLN 51 CO 0.05 1.10 0.52 0.37 -1.93 0.00 0.00 178.83 178.93 3nkw h GLN 52 N 0.42 0.75 -0.46 1.69 5.75 -0.68 -0.55 115.11 122.03 3nkw h GLN 52 Ca -0.03 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.34 3nkw h GLN 52 Cb 1.32 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.68 3nkw h GLN 52 CO 0.14 0.50 -0.04 0.00 -2.65 0.00 0.00 178.83 176.77 3nkw h ALA 53 N 1.59 1.07 -0.30 3.38 0.00 -1.06 -1.14 119.26 122.81 3nkw h ALA 53 Ca 0.36 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 3nkw h ALA 53 Cb 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3nkw h ALA 53 CO -0.13 0.58 -0.45 1.96 0.00 0.00 0.00 179.25 181.20 3nkw h GLN 54 N 0.72 0.77 0.55 0.00 4.20 -1.09 -1.69 115.11 118.58 3nkw h GLN 54 Ca 0.13 -0.43 -0.02 0.00 0.06 0.00 0.00 58.65 58.39 3nkw h GLN 54 Cb 0.50 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3nkw h GLN 54 CO 0.03 1.06 -0.36 -0.91 -0.67 0.00 0.00 178.83 177.98 3nkw h ASN 55 N 0.61 -0.91 -0.82 1.46 4.21 -0.59 0.82 115.58 120.36 3nkw h ASN 55 Ca 0.04 0.06 0.19 0.00 1.21 0.00 0.00 56.30 57.79 3nkw h ASN 55 Cb 1.02 0.27 -0.12 0.00 -1.12 0.00 0.00 38.32 38.38 3nkw h ASN 55 CO 0.10 -0.55 0.26 0.58 -1.29 0.00 0.00 177.43 176.53 3nkw h VAL 56 N -0.87 0.48 -0.27 2.81 2.07 -1.23 -2.52 116.25 116.72 3nkw h VAL 56 Ca -0.06 -0.11 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 3nkw h VAL 56 Cb 0.72 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3nkw h VAL 56 CO 0.05 0.06 -0.22 -0.61 0.02 0.00 0.00 177.57 176.87 3nkw h GLN 57 N 0.31 0.62 -0.72 1.57 4.15 -0.61 -2.78 115.11 117.66 3nkw h GLN 57 Ca 0.48 -0.31 -0.06 0.00 0.77 0.00 0.00 58.65 59.54 3nkw h GLN 57 Cb 0.88 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.54 3nkw h GLN 57 CO -0.54 0.91 0.23 0.66 -1.93 0.00 0.00 178.83 178.16 3nkw h SER 58 N 0.35 1.04 -0.10 -0.69 4.64 -0.47 -0.20 113.55 118.13 3nkw h SER 58 Ca 0.05 -0.20 0.04 0.00 -0.47 0.00 0.00 61.79 61.21 3nkw h SER 58 Cb 0.77 -0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 62.53 3nkw h SER 58 CO 0.06 0.97 -0.34 0.22 -0.87 0.00 0.00 176.83 176.87 3nkw h TYR 59 N 1.06 -0.95 0.00 4.77 3.20 -1.44 0.96 116.97 124.57 3nkw h TYR 59 Ca 0.23 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.10 3nkw h TYR 59 Cb 0.29 0.43 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 3nkw h TYR 59 CO 0.02 -0.42 -0.22 0.45 -1.64 0.00 0.00 178.16 176.36 3nkw h HIS 60 N -0.43 0.00 0.00 -3.82 3.86 -1.15 -2.25 115.15 111.36 3nkw h HIS 60 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3nkw h HIS 60 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 3nkw h HIS 60 CO -0.41 0.22 -0.44 0.28 0.86 0.00 0.00 177.93 178.44 3nkw n VAL 61 N -4.13 1.04 0.20 2.45 0.31 -0.13 -1.69 118.33 116.39 3nkw n VAL 61 Ca -0.02 0.28 -0.15 0.00 -0.01 0.00 0.00 64.34 64.45 3nkw n VAL 61 Cb 0.28 -2.15 -0.08 0.00 -0.91 0.00 0.00 33.84 30.99 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 -0.73 -0.47 -0.13 5.55 2.47 0.82 -0.67 114.38 121.21 3nkw h ARG 62 Ca 0.00 0.03 -0.21 0.00 -1.26 0.00 0.00 59.98 58.54 3nkw h ARG 62 Cb 0.44 0.11 0.01 0.00 -1.65 0.00 0.00 29.97 28.87 3nkw h ARG 62 CO 0.00 -0.22 -0.75 -0.91 0.56 0.00 0.00 179.97 178.66 3nkw h ASN 63 N -0.67 0.89 -0.00 7.04 -0.26 -1.39 -3.34 115.58 117.84 3nkw h ASN 63 Ca -0.05 -0.64 0.00 0.00 -0.56 0.00 0.00 56.30 55.05 3nkw h ASN 63 Cb 0.48 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 3nkw h ASN 63 CO 0.08 1.39 -0.62 0.18 -1.06 0.00 0.00 177.43 177.40 3nkw n LEU 64 N -3.99 1.04 -1.73 1.61 4.77 -1.01 -5.00 117.00 112.70 3nkw n LEU 64 Ca -0.08 -0.58 -0.12 0.00 -0.03 0.00 0.00 56.01 55.20 3nkw n LEU 64 Cb 0.73 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.84 3nkw n LEU 64 CO 0.52 0.23 0.01 0.61 -1.33 0.00 0.00 177.39 177.43 3nkw n GLY 65 N 1.31 0.07 3.89 -0.72 0.00 -0.26 -4.94 105.19 104.54 3nkw n GLY 65 Ca 0.04 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.90 3.46 0.56 1.61 0.51 -0.68 -5.00 118.94 116.50 3nkw s TRP 66 Ca 0.17 0.66 0.28 0.00 -2.12 0.00 0.00 56.10 55.09 3nkw s TRP 66 Cb -0.08 -2.09 1.46 0.00 -0.81 0.00 0.00 33.47 31.96 3nkw s TRP 66 CO 0.22 0.37 1.95 0.00 -0.51 0.00 0.00 176.95 178.98 3nkw s ASP 68 N -5.75 -0.07 0.41 0.00 2.15 -1.26 -1.08 116.67 111.06 3nkw s ASP 68 Ca -0.05 -0.07 -0.21 0.00 0.43 0.00 0.00 52.55 52.65 3nkw s ASP 68 Cb 0.18 0.13 -0.15 0.00 -0.30 0.00 0.00 42.92 42.78 3nkw s ASP 68 CO 0.67 -0.23 0.19 0.55 -0.17 0.00 0.00 175.17 176.18 3nkw n VAL 69 N -0.31 0.93 0.17 1.11 3.14 -1.26 -4.73 118.33 117.37 3nkw n VAL 69 Ca -0.04 -0.50 0.10 0.00 -2.96 0.00 0.00 64.34 60.94 3nkw n VAL 69 Cb 0.61 -0.13 0.10 0.00 -1.06 0.00 0.00 33.84 33.35 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 0.41 0.00 -3.51 7.55 0.00 -1.92 -3.43 103.07 102.16 3nkw h GLY 70 Ca -0.38 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.42 3nkw h GLY 70 CO 0.48 0.00 -0.25 -0.19 0.00 0.00 0.00 176.54 176.58 3nkw s TYR 71 N -3.20 3.48 0.15 5.60 2.02 -1.26 -0.37 117.35 123.77 3nkw s TYR 71 Ca 0.04 0.47 -0.05 0.00 -0.37 0.00 0.00 57.07 57.16 3nkw s TYR 71 Cb 0.07 -1.96 -0.02 0.00 -0.40 0.00 0.00 41.96 39.64 3nkw s TYR 71 CO 0.72 0.29 1.38 -0.91 -1.57 0.00 0.00 175.55 175.46 3nkw h ASN 72 N 1.87 0.64 -4.50 2.29 4.21 -1.39 -0.81 115.58 117.89 3nkw h ASN 72 Ca -0.48 -0.42 -0.13 0.00 1.21 0.00 0.00 56.30 56.47 3nkw h ASN 72 Cb 1.19 -0.19 -0.22 0.00 -1.12 0.00 0.00 38.32 37.98 3nkw h ASN 72 CO 0.67 1.19 -0.33 -0.36 -1.29 0.00 0.00 177.43 177.30 3nkw s PHE 73 N -3.63 -0.22 -0.08 1.19 0.08 -1.07 -0.70 117.98 113.53 3nkw s PHE 73 Ca -0.07 0.46 0.04 0.00 0.12 0.00 0.00 56.93 57.48 3nkw s PHE 73 Cb 0.10 0.09 -0.01 0.00 -0.57 0.00 0.00 43.02 42.62 3nkw s PHE 73 CO 0.86 -0.28 -0.20 -0.51 -0.10 0.00 0.00 175.22 174.99 3nkw s LEU 74 N -0.70 2.33 -0.25 -0.37 1.02 -0.61 -0.99 118.68 119.11 3nkw s LEU 74 Ca -0.08 -0.43 -0.10 0.00 0.02 0.00 0.00 54.13 53.55 3nkw s LEU 74 Cb -0.04 -1.47 -0.04 0.00 0.02 0.00 0.00 46.19 44.66 3nkw s LEU 74 CO 0.02 0.22 0.14 -0.63 0.02 0.00 0.00 176.35 176.13 3nkw s ILE 75 N -0.03 5.00 0.32 -0.59 -1.09 0.85 0.70 121.20 126.36 3nkw s ILE 75 Ca -0.06 0.06 0.03 0.00 -2.23 0.00 0.00 60.65 58.45 3nkw s ILE 75 Cb -0.15 -3.35 -0.02 0.00 -1.58 0.00 0.00 42.46 37.36 3nkw s ILE 75 CO 0.05 0.31 0.49 -0.83 -1.23 0.00 0.00 174.94 173.73 3nkw s GLY 76 N 1.45 1.37 0.00 6.18 0.00 -0.41 -1.92 107.32 113.98 3nkw s GLY 76 Ca 0.07 -1.13 0.27 0.00 0.00 0.00 0.00 44.72 43.93 3nkw s GLY 76 CO 0.07 -1.08 1.81 1.18 0.00 0.00 0.00 173.10 175.08 3nkw n GLU 77 N -1.67 1.51 0.14 2.90 1.02 -0.87 -2.32 120.64 121.35 3nkw n GLU 77 Ca -0.05 -0.75 0.12 0.00 -0.02 0.00 0.00 57.16 56.47 3nkw n GLU 77 Cb 0.57 -1.46 0.52 0.00 -0.02 0.00 0.00 31.44 31.05 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 -0.08 0.68 0.00 1.62 5.68 -1.18 -4.78 116.55 118.49 3nkw n ASP 78 Ca 0.19 0.69 0.00 0.00 -0.50 0.00 0.00 54.79 55.17 3nkw n ASP 78 Cb 0.29 -0.83 0.00 0.00 -1.14 0.00 0.00 41.12 39.44 3nkw n ASP 78 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3nkw n GLY 79 N -0.22 0.80 3.68 6.12 0.00 -0.98 -4.89 105.19 109.71 3nkw n GLY 79 Ca 0.01 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 3.35 -0.14 0.99 1.43 -1.25 -4.72 118.68 118.34 3nkw s LEU 80 Ca 0.00 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.61 3nkw s LEU 80 Cb 0.00 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 3nkw s LEU 80 CO 0.00 0.04 -0.03 -0.69 0.23 0.00 0.00 176.35 175.90 3nkw s VAL 81 N -2.01 4.02 -0.23 -1.59 1.01 -1.26 -1.28 120.40 119.07 3nkw s VAL 81 Ca 0.30 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 3nkw s VAL 81 Cb -0.08 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 3nkw s VAL 81 CO 0.20 0.52 0.10 -0.31 0.00 0.00 0.00 175.10 175.61 3nkw s TYR 82 N 0.01 3.20 -0.03 5.22 2.02 0.22 -0.69 117.35 127.31 3nkw s TYR 82 Ca 0.01 -0.04 -0.31 0.00 -0.37 0.00 0.00 57.07 56.36 3nkw s TYR 82 Cb -0.13 -2.21 -0.09 0.00 -0.40 0.00 0.00 41.96 39.13 3nkw s TYR 82 CO 0.02 -0.07 2.00 -1.91 -1.57 0.00 0.00 175.55 174.02 3nkw n GLU 83 N 4.32 2.60 0.00 -0.62 2.13 -0.19 -1.57 120.64 127.31 3nkw n GLU 83 Ca -0.16 0.93 0.00 0.00 0.66 0.00 0.00 57.16 58.59 3nkw n GLU 83 Cb 0.52 -2.96 0.00 0.00 0.27 0.00 0.00 31.44 29.26 3nkw n GLU 83 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3nkw n GLY 84 N 4.72 0.51 0.09 8.31 0.00 -0.00 -4.55 105.19 114.27 3nkw n GLY 84 Ca 0.22 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.39 3nkw n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3nkw n ARG 85 N 0.00 0.77 0.00 1.61 1.74 -0.31 -4.90 116.66 115.57 3nkw n ARG 85 Ca 0.00 -0.17 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 3nkw n ARG 85 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 3nkw n ARG 85 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3nkw n GLY 86 N 1.21 -0.56 0.12 -0.13 0.00 0.12 -3.86 105.19 102.09 3nkw n GLY 86 Ca 0.17 -1.12 -0.01 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.95 -3.38 115.95 116.29 3nkw h TRP 87 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3nkw h TRP 87 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3nkw h TRP 87 CO 0.00 0.67 -1.34 0.09 -3.56 0.00 0.00 178.44 174.30 3nkw n ASN 88 N -3.58 1.43 -4.67 -3.49 5.03 -1.26 -4.82 115.26 103.90 3nkw n ASN 88 Ca -0.00 -0.25 -0.35 0.00 0.87 0.00 0.00 54.58 54.85 3nkw n ASN 88 Cb 0.70 1.45 -0.09 0.00 -1.02 0.00 0.00 39.78 40.81 3nkw n ASN 88 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3nkw s ILE 89 N -2.77 4.62 0.12 2.41 1.01 -1.25 -0.04 121.20 125.29 3nkw s ILE 89 Ca -0.02 -0.11 -0.31 0.00 0.00 0.00 0.00 60.65 60.21 3nkw s ILE 89 Cb 0.09 -3.02 -0.10 0.00 0.01 0.00 0.00 42.46 39.44 3nkw s ILE 89 CO 0.58 0.53 1.77 -0.75 0.00 0.00 0.00 174.94 177.07 3nkw s LYS 90 N -0.22 4.15 0.82 2.79 2.20 -0.47 -4.74 119.74 124.28 3nkw s LYS 90 Ca 0.07 2.52 -0.12 0.00 -0.36 0.00 0.00 55.97 58.08 3nkw s LYS 90 Cb -0.12 -3.55 0.09 0.00 -1.51 0.00 0.00 37.83 32.74 3nkw s LYS 90 CO 0.02 -0.80 1.19 0.20 -0.36 0.00 0.00 175.35 175.59 3nkw s GLY 91 N 2.50 1.61 -0.44 5.54 0.00 -1.26 -4.93 107.32 110.34 3nkw s GLY 91 Ca 0.78 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 44.81 3nkw s GLY 91 CO 0.35 -0.21 0.22 0.00 0.00 0.00 0.00 173.10 173.46 3nkw s ALA 92 N -3.59 2.38 0.00 3.20 0.00 0.51 -4.80 121.76 119.45 3nkw s ALA 92 Ca 0.63 -2.66 0.00 0.00 0.00 0.00 0.00 51.96 49.93 3nkw s ALA 92 Cb -0.10 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.09 3nkw s ALA 92 CO 0.49 -2.00 0.00 -2.39 0.00 0.00 0.00 175.76 171.86 3nkw n HIS 93 N 3.60 0.00 -2.60 0.00 1.44 -1.26 -4.43 115.22 111.98 3nkw n HIS 93 Ca 0.07 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.78 3nkw n HIS 93 Cb 0.35 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.49 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 -0.06 2.64 0.00 1.59 0.00 -1.26 -5.09 120.51 118.33 3nkw n ALA 94 Ca 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 53.44 51.22 3nkw n ALA 94 Cb 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.17 -1.70 0.00 0.00 0.00 -1.26 -4.11 105.19 97.94 3nkw n GLY 95 Ca 0.01 -1.54 0.08 0.00 0.00 0.00 0.00 46.02 44.56 3nkw n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3nkw n PRO 96 N -1.96 0.04 0.02 1.61 -0.04 -1.26 -1.39 135.00 132.01 3nkw n PRO 96 Ca 0.00 0.21 -0.07 0.00 -0.04 0.00 0.00 63.50 63.60 3nkw n PRO 96 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 3nkw n PRO 96 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3nkw h THR 97 N 0.00 1.18 0.00 0.52 2.02 -2.00 -3.41 112.91 111.22 3nkw h THR 97 Ca 0.00 -2.94 -0.05 0.00 0.77 0.00 0.00 66.41 64.19 3nkw h THR 97 Cb 0.25 2.57 -0.01 0.00 -1.74 0.00 0.00 68.15 69.23 3nkw h THR 97 CO 0.00 0.67 -1.51 0.79 0.37 0.00 0.00 175.52 175.84 3nkw n TRP 98 N -3.16 0.00 -0.30 3.16 7.02 -1.12 -4.56 117.44 118.48 3nkw n TRP 98 Ca -0.09 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.43 3nkw n TRP 98 Cb 0.99 -0.30 0.19 0.00 -2.42 0.00 0.00 31.31 29.77 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 0.69 0.37 -0.99 2.35 -1.46 -1.54 115.58 115.01 3nkw h ASN 99 Ca -0.08 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3nkw h ASN 99 Cb 0.80 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.09 3nkw h ASN 99 CO 0.00 0.37 -0.18 -0.81 -1.65 0.00 0.00 177.43 175.17 3nkw n PRO 100 N -4.74 0.63 -0.16 0.81 -0.05 -1.26 -3.85 135.00 126.38 3nkw n PRO 100 Ca 0.15 -0.28 0.08 0.00 -0.05 0.00 0.00 63.50 63.40 3nkw n PRO 100 Cb 0.32 -1.49 0.11 0.00 -0.05 0.00 0.00 33.50 32.38 3nkw n PRO 100 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 175.50 175.89 3nkw n ILE 101 N -0.94 1.49 -3.69 0.52 -6.64 -0.77 -4.66 119.36 104.67 3nkw n ILE 101 Ca 0.13 -1.79 -0.10 0.00 -1.77 0.00 0.00 62.75 59.21 3nkw n ILE 101 Cb 0.31 -0.08 -0.04 0.00 -1.44 0.00 0.00 39.64 38.39 3nkw n ILE 101 CO 0.00 0.00 0.00 -0.94 -1.77 0.00 0.00 176.55 173.84 3nkw s SER 102 N -2.47 -0.27 -0.12 7.28 1.04 -0.65 -3.36 113.70 115.13 3nkw s SER 102 Ca 0.25 -0.41 -0.01 0.00 0.48 0.00 0.00 55.95 56.26 3nkw s SER 102 Cb 0.22 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.87 3nkw s SER 102 CO 0.02 -0.99 -0.08 -0.63 0.98 0.00 0.00 173.24 172.54 3nkw s ILE 103 N -3.85 3.56 -0.34 -1.02 -1.09 -0.36 -4.74 121.20 113.36 3nkw s ILE 103 Ca 0.07 -0.49 -0.08 0.00 -2.23 0.00 0.00 60.65 57.92 3nkw s ILE 103 Cb -0.00 -2.51 0.02 0.00 -1.58 0.00 0.00 42.46 38.39 3nkw s ILE 103 CO -0.06 0.53 0.14 -0.83 -1.23 0.00 0.00 174.94 173.49 3nkw s GLY 104 N 0.05 1.86 -0.25 6.18 0.00 -1.26 -1.87 107.32 112.03 3nkw s GLY 104 Ca -0.02 -1.62 -0.06 0.00 0.00 0.00 0.00 44.72 43.02 3nkw s GLY 104 CO 0.03 0.76 0.03 -0.26 0.00 0.00 0.00 173.10 173.66 3nkw s ILE 105 N 1.50 3.83 -0.16 0.90 -5.25 -1.06 -1.07 121.20 119.88 3nkw s ILE 105 Ca 0.01 -0.46 -0.05 0.00 -0.99 0.00 0.00 60.65 59.16 3nkw s ILE 105 Cb -0.19 -2.83 -0.03 0.00 2.95 0.00 0.00 42.46 42.36 3nkw s ILE 105 CO 0.04 0.29 0.00 -0.55 -1.79 0.00 0.00 174.94 172.94 3nkw s SER 106 N 1.52 5.12 -0.29 4.36 0.15 -0.16 -2.23 113.70 122.18 3nkw s SER 106 Ca 0.05 -0.04 -0.18 0.00 0.70 0.00 0.00 55.95 56.47 3nkw s SER 106 Cb -0.15 -1.84 -0.02 0.00 -1.71 0.00 0.00 66.02 62.29 3nkw s SER 106 CO 0.01 0.18 0.54 -0.36 1.20 0.00 0.00 173.24 174.80 3nkw s PHE 107 N 0.33 3.23 -0.42 3.44 0.08 -0.48 -0.11 117.98 124.05 3nkw s PHE 107 Ca -0.01 0.51 -0.28 0.00 0.12 0.00 0.00 56.93 57.27 3nkw s PHE 107 Cb -0.13 -2.83 -0.02 0.00 -0.57 0.00 0.00 43.02 39.46 3nkw s PHE 107 CO 0.02 -0.39 1.88 -1.64 -0.10 0.00 0.00 175.22 174.99 3nkw s MET 108 N 2.40 3.02 0.00 0.44 -1.94 -0.81 -1.63 119.30 120.78 3nkw s MET 108 Ca 0.21 1.20 0.00 0.00 -1.71 0.00 0.00 55.69 55.40 3nkw s MET 108 Cb -0.15 -4.29 0.00 0.00 2.01 0.00 0.00 34.83 32.40 3nkw s MET 108 CO 0.11 -2.24 0.00 0.41 -0.01 0.00 0.00 175.02 173.29 3nkw n GLY 109 N 5.56 1.53 3.29 -0.03 0.00 -1.23 -4.34 105.19 109.96 3nkw n GLY 109 Ca 0.23 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 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 0.00 4.30 -0.42 1.61 3.84 -0.66 -2.17 114.94 121.43 3nkw s ASN 110 Ca 0.00 -0.49 0.04 0.00 0.21 0.00 0.00 52.86 52.63 3nkw s ASN 110 Cb 0.00 -1.73 0.45 0.00 -0.55 0.00 0.00 41.25 39.42 3nkw s ASN 110 CO 0.00 -0.04 1.42 -1.22 -2.79 0.00 0.00 177.10 174.46 3nkw n TYR 111 N 4.78 2.94 0.10 0.43 4.01 -1.26 -4.47 117.16 123.69 3nkw n TYR 111 Ca -0.18 -2.51 -0.16 0.00 -0.16 0.00 0.00 57.90 54.89 3nkw n TYR 111 Cb 0.50 -0.62 -0.14 0.00 -0.31 0.00 0.00 39.34 38.77 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 2.21 0.28 -0.35 -0.72 4.05 -1.85 -1.49 114.93 117.06 3nkw h MET 112 Ca 0.43 -0.49 -0.23 0.00 -0.28 0.00 0.00 59.70 59.14 3nkw h MET 112 Cb 1.25 0.18 -0.36 0.00 -0.80 0.00 0.00 31.60 31.86 3nkw h MET 112 CO 1.00 1.22 -1.00 0.27 0.23 0.00 0.00 176.91 178.63 3nkw n ASN 113 N -3.53 1.12 -3.99 1.39 0.23 -1.26 -3.84 115.26 105.37 3nkw n ASN 113 Ca -0.10 -2.04 -0.20 0.00 -0.53 0.00 0.00 54.58 51.71 3nkw n ASN 113 Cb 1.03 -0.31 -0.15 0.00 -2.08 0.00 0.00 39.78 38.27 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 -3.06 0.91 0.38 -3.83 0.52 -1.26 -5.07 118.95 107.54 3nkw s ARG 114 Ca 0.25 -0.28 -0.11 0.00 -0.52 0.00 0.00 55.73 55.07 3nkw s ARG 114 Cb 0.34 -0.86 -0.07 0.00 0.52 0.00 0.00 34.95 34.88 3nkw s ARG 114 CO -0.06 0.10 0.75 0.14 0.02 0.00 0.00 175.30 176.25 3nkw s VAL 115 N 0.21 4.78 0.47 3.52 -7.23 -1.26 -4.39 120.40 116.51 3nkw s VAL 115 Ca -0.03 0.64 -0.20 0.00 -1.81 0.00 0.00 61.98 60.58 3nkw s VAL 115 Cb -0.08 -3.71 -0.09 0.00 0.56 0.00 0.00 36.38 33.06 3nkw s VAL 115 CO 0.00 -0.44 1.00 -2.84 -0.31 0.00 0.00 175.10 172.51 3nkw s PRO 116 N -3.66 3.94 0.39 4.82 0.02 -1.26 -5.04 135.00 134.21 3nkw s PRO 116 Ca 0.51 1.23 -0.26 0.00 0.02 0.00 0.00 61.00 62.50 3nkw s PRO 116 Cb -0.10 -2.12 -0.09 0.00 0.02 0.00 0.00 34.50 32.21 3nkw s PRO 116 CO 0.29 -0.30 1.20 -1.25 -0.33 0.00 0.00 177.00 176.61 3nkw s PRO 117 N -3.34 4.07 0.27 5.54 0.04 -1.26 -4.83 135.00 135.49 3nkw s PRO 117 Ca 0.64 1.91 0.12 0.00 0.04 0.00 0.00 61.00 63.72 3nkw s PRO 117 Cb -0.13 -2.72 0.92 0.00 0.04 0.00 0.00 34.50 32.60 3nkw s PRO 117 CO 0.19 -0.33 1.21 -2.30 0.04 0.00 0.00 177.00 175.81 3nkw n PRO 118 N 0.15 -0.05 0.00 0.56 -0.02 -1.26 0.10 135.00 134.48 3nkw n PRO 118 Ca 0.04 1.08 0.10 0.00 -2.02 0.00 0.00 63.50 62.70 3nkw n PRO 118 Cb 0.46 -1.88 0.49 0.00 -0.02 0.00 0.00 33.50 32.54 3nkw n PRO 118 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3nkw n ARG 119 N -4.82 0.22 -0.04 -0.52 1.85 -1.26 -0.65 116.66 111.43 3nkw n ARG 119 Ca 0.26 0.11 -0.19 0.00 -1.00 0.00 0.00 57.85 57.03 3nkw n ARG 119 Cb 0.88 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 30.66 3nkw n ARG 119 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3nkw n ALA 120 N -1.33 1.11 -0.13 2.89 0.00 0.28 -3.10 120.51 120.23 3nkw n ALA 120 Ca 0.08 -0.79 -0.08 0.00 0.00 0.00 0.00 53.44 52.65 3nkw n ALA 120 Cb 0.18 -0.47 -0.00 0.00 0.00 0.00 0.00 19.45 19.15 3nkw n ALA 120 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3nkw h LEU 121 N 0.04 0.48 -0.88 0.00 3.38 -1.43 -1.99 115.31 114.92 3nkw h LEU 121 Ca -0.48 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.43 3nkw h LEU 121 Cb 1.99 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.58 3nkw h LEU 121 CO 0.03 0.40 0.54 -0.09 0.09 0.00 0.00 178.44 179.41 3nkw h ARG 122 N 0.52 1.18 -0.39 1.13 2.43 -1.04 -1.46 114.38 116.75 3nkw h ARG 122 Ca 0.14 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3nkw h ARG 122 Cb 0.01 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 3nkw h ARG 122 CO -0.03 0.82 0.23 0.00 -1.51 0.00 0.00 179.97 179.48 3nkw h ALA 123 N 1.30 0.50 -0.81 2.80 0.00 -1.44 -0.71 119.26 120.91 3nkw h ALA 123 Ca 0.32 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.19 3nkw h ALA 123 Cb -0.07 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 3nkw h ALA 123 CO -0.06 0.01 0.52 0.00 0.00 0.00 0.00 179.25 179.72 3nkw h ALA 124 N 1.09 1.05 -0.01 0.00 0.00 -1.02 0.36 119.26 120.73 3nkw h ALA 124 Ca 0.14 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 3nkw h ALA 124 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3nkw h ALA 124 CO -0.02 0.35 -0.87 0.37 0.00 0.00 0.00 179.25 179.08 3nkw h GLN 125 N 1.02 0.29 -0.34 0.00 4.15 -1.09 -2.58 115.11 116.56 3nkw h GLN 125 Ca 0.32 -0.30 -0.08 0.00 0.77 0.00 0.00 58.65 59.35 3nkw h GLN 125 Cb -0.02 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 3nkw h GLN 125 CO -0.10 1.00 -0.10 -0.97 -1.93 0.00 0.00 178.83 176.72 3nkw h ASN 126 N 0.17 0.68 0.03 -0.69 -1.24 -1.00 -2.47 115.58 111.07 3nkw h ASN 126 Ca -0.05 -0.38 -0.02 0.00 0.71 0.00 0.00 56.30 56.56 3nkw h ASN 126 Cb 1.49 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 40.35 3nkw h ASN 126 CO 0.14 0.90 -0.05 0.25 -1.29 0.00 0.00 177.43 177.38 3nkw h LEU 127 N 0.46 0.05 0.04 0.34 5.85 -0.80 -1.71 115.31 119.55 3nkw h LEU 127 Ca 0.08 -0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.57 3nkw h LEU 127 Cb 0.62 -0.01 0.02 0.00 0.37 0.00 0.00 40.66 41.65 3nkw h LEU 127 CO 0.04 0.12 -0.93 -0.07 -0.34 0.00 0.00 178.44 177.26 3nkw h LEU 128 N 0.06 0.74 -0.79 2.25 3.38 -1.39 -1.83 115.31 117.74 3nkw h LEU 128 Ca 0.01 -0.79 0.08 0.00 0.09 0.00 0.00 57.88 57.28 3nkw h LEU 128 Cb 0.14 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 3nkw h LEU 128 CO 0.01 1.44 0.45 0.00 0.09 0.00 0.00 178.44 180.43 3nkw h ALA 129 N 0.32 1.10 0.04 1.53 0.00 -0.94 -1.84 119.26 119.47 3nkw h ALA 129 Ca -0.13 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3nkw h ALA 129 Cb 1.62 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 3nkw h ALA 129 CO 0.18 0.10 -0.38 0.00 0.00 0.00 0.00 179.25 179.16 3nkw h GLY 131 N -0.56 0.74 0.36 0.00 0.00 -0.61 0.15 103.07 103.14 3nkw h GLY 131 Ca 0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 3nkw h GLY 131 CO -0.27 0.01 -0.05 -2.08 0.00 0.00 0.00 176.54 174.15 3nkw h VAL 132 N 0.36 1.12 -0.93 4.60 2.07 -1.07 0.36 116.25 122.76 3nkw h VAL 132 Ca 0.44 -1.28 0.20 0.00 0.82 0.00 0.00 66.70 66.88 3nkw h VAL 132 Cb 1.15 1.88 -0.07 0.00 -1.52 0.00 0.00 31.29 32.72 3nkw h VAL 132 CO -0.15 0.29 0.60 0.00 0.02 0.00 0.00 177.57 178.34 3nkw h ALA 133 N -0.03 2.10 -0.00 1.67 0.00 -0.30 0.28 119.26 122.98 3nkw h ALA 133 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3nkw h ALA 133 Cb 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3nkw h ALA 133 CO 0.02 -0.41 -0.07 1.28 0.00 0.00 0.00 179.25 180.08 3nkw n LEU 134 N -4.56 0.27 -0.29 0.00 4.77 -0.05 -4.33 117.00 112.81 3nkw n LEU 134 Ca 0.20 0.11 -0.04 0.00 -0.03 0.00 0.00 56.01 56.26 3nkw n LEU 134 Cb 0.68 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 3nkw n LEU 134 CO 0.29 0.05 -0.04 0.61 -1.33 0.00 0.00 177.39 176.97 3nkw n GLY 135 N 1.27 0.63 0.11 -0.72 0.00 0.98 -4.87 105.19 102.59 3nkw n GLY 135 Ca 0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 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 0.68 -3.91 4.61 0.00 -1.29 -3.34 119.26 116.02 3nkw h ALA 136 Ca -0.08 -0.69 -0.69 0.00 0.00 0.00 0.00 54.91 53.45 3nkw h ALA 136 Cb 0.49 -0.12 -0.22 0.00 0.00 0.00 0.00 17.79 17.94 3nkw h ALA 136 CO 0.12 0.95 -0.86 -0.51 0.00 0.00 0.00 179.25 178.95 3nkw s LEU 137 N -7.10 2.37 0.39 0.00 1.43 0.11 0.45 118.68 116.32 3nkw s LEU 137 Ca 0.00 -0.71 -0.26 0.00 -1.03 0.00 0.00 54.13 52.13 3nkw s LEU 137 Cb 0.11 -1.27 -0.09 0.00 0.03 0.00 0.00 46.19 44.97 3nkw s LEU 137 CO 0.78 0.19 1.19 -0.13 0.23 0.00 0.00 176.35 178.61 3nkw s ARG 138 N -2.01 4.10 0.32 1.70 0.52 0.63 -4.46 118.95 119.76 3nkw s ARG 138 Ca 0.14 1.90 0.04 0.00 -0.52 0.00 0.00 55.73 57.29 3nkw s ARG 138 Cb -0.10 -2.75 0.64 0.00 0.52 0.00 0.00 34.95 33.26 3nkw s ARG 138 CO 0.06 -0.29 1.91 0.66 0.02 0.00 0.00 175.30 177.66 3nkw h SER 139 N 2.77 0.80 -0.76 0.23 4.64 -1.91 -0.81 113.55 118.51 3nkw h SER 139 Ca -0.49 0.02 -0.47 0.00 -0.47 0.00 0.00 61.79 60.38 3nkw h SER 139 Cb 1.23 -0.15 -0.23 0.00 -0.31 0.00 0.00 62.40 62.94 3nkw h SER 139 CO 0.63 0.49 0.60 -0.46 -0.87 0.00 0.00 176.83 177.22 3nkw n ASN 140 N -4.51 5.57 -4.35 4.97 0.23 -1.26 -5.01 115.26 110.90 3nkw n ASN 140 Ca 0.14 -3.36 -0.33 0.00 -0.53 0.00 0.00 54.58 50.50 3nkw n ASN 140 Cb 0.27 -0.90 0.14 0.00 -2.08 0.00 0.00 39.78 37.20 3nkw n ASN 140 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3nkw n TYR 141 N -0.53 -1.56 -4.79 -2.53 0.18 -0.31 -5.02 117.16 102.59 3nkw n TYR 141 Ca 0.47 0.20 -0.25 0.00 1.88 0.00 0.00 57.90 60.20 3nkw n TYR 141 Cb 0.97 -1.69 -0.15 0.00 -0.38 0.00 0.00 39.34 38.08 3nkw n TYR 141 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 3nkw s GLU 142 N -3.50 1.46 -0.11 -3.48 2.02 -0.42 -4.82 118.70 109.85 3nkw s GLU 142 Ca 0.56 -0.59 -0.06 0.00 0.02 0.00 0.00 54.97 54.90 3nkw s GLU 142 Cb -0.17 -1.36 -0.04 0.00 0.10 0.00 0.00 34.13 32.66 3nkw s GLU 142 CO 0.67 0.32 0.12 0.08 0.02 0.00 0.00 175.26 176.47 3nkw s VAL 143 N -0.26 5.30 -0.03 2.63 1.01 0.35 -1.35 120.40 128.05 3nkw s VAL 143 Ca 0.03 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.15 3nkw s VAL 143 Cb -0.08 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.00 3nkw s VAL 143 CO 0.00 0.60 -0.10 -0.54 0.00 0.00 0.00 175.10 175.06 3nkw s LYS 144 N -1.05 1.04 0.40 2.72 -0.14 0.13 -2.41 119.74 120.43 3nkw s LYS 144 Ca 0.15 -0.35 -0.24 0.00 -1.36 0.00 0.00 55.97 54.17 3nkw s LYS 144 Cb -0.12 -0.97 -0.09 0.00 -1.68 0.00 0.00 37.83 34.97 3nkw s LYS 144 CO 0.04 0.15 1.04 0.20 -0.76 0.00 0.00 175.35 176.02 3nkw s GLY 145 N 0.11 2.71 0.24 -3.33 0.00 -1.26 0.63 107.32 106.41 3nkw s GLY 145 Ca -0.02 0.67 -0.05 0.00 0.00 0.00 0.00 44.72 45.32 3nkw s GLY 145 CO 0.01 1.08 1.69 0.84 0.00 0.00 0.00 173.10 176.72 3nkw h HIS 146 N 2.44 0.28 0.00 1.90 2.76 -0.17 0.15 115.15 122.51 3nkw h HIS 146 Ca -0.48 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 3nkw h HIS 146 Cb 1.21 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.16 3nkw h HIS 146 CO 0.58 -0.08 0.00 2.89 -1.30 0.00 0.00 177.93 180.02 3nkw n ARG 147 N -5.15 0.24 0.02 5.26 1.85 0.36 -1.99 116.66 117.25 3nkw n ARG 147 Ca 0.14 0.13 0.12 0.00 -1.00 0.00 0.00 57.85 57.24 3nkw n ARG 147 Cb 0.46 -1.50 0.21 0.00 -1.05 0.00 0.00 32.46 30.58 3nkw n ARG 147 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3nkw n ASP 148 N -1.25 0.56 0.00 2.89 8.00 0.04 -4.28 116.55 122.50 3nkw n ASP 148 Ca 0.07 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.44 3nkw n ASP 148 Cb 0.11 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 3nkw n ASP 148 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3nkw n VAL 149 N -1.71 0.00 -3.58 2.53 0.24 -0.93 -5.00 118.33 109.89 3nkw n VAL 149 Ca 0.05 -0.29 -0.11 0.00 -2.04 0.00 0.00 64.34 61.95 3nkw n VAL 149 Cb 0.37 0.99 -0.03 0.00 -1.47 0.00 0.00 33.84 33.70 3nkw n VAL 149 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3nkw s GLN 150 N -0.59 1.32 -0.62 7.34 -2.07 -0.84 -4.98 119.66 119.22 3nkw s GLN 150 Ca 0.00 -0.66 -0.28 0.00 -1.82 0.00 0.00 55.36 52.60 3nkw s GLN 150 Cb 0.00 0.55 0.03 0.00 -1.09 0.00 0.00 33.01 32.50 3nkw s GLN 150 CO 0.00 -0.57 1.23 -1.25 -1.32 0.00 0.00 175.29 173.39 3nkw s PRO 151 N -3.81 3.42 0.19 9.60 0.05 -1.26 -4.06 135.00 139.13 3nkw s PRO 151 Ca 0.04 0.15 -0.23 0.00 0.05 0.00 0.00 61.00 61.01 3nkw s PRO 151 Cb -0.01 -4.06 0.05 0.00 0.05 0.00 0.00 34.50 30.53 3nkw s PRO 151 CO -0.08 -1.82 0.72 -0.08 0.05 0.00 0.00 177.00 175.78 3nkw s THR 152 N 5.25 0.00 -1.30 1.26 -1.32 -1.26 -5.02 115.64 113.24 3nkw s THR 152 Ca 0.42 -0.44 0.25 0.00 -1.21 0.00 0.00 61.69 60.70 3nkw s THR 152 Cb -0.08 -1.48 0.07 0.00 -1.51 0.00 0.00 72.50 69.50 3nkw s THR 152 CO 0.23 0.00 1.40 0.18 -2.21 0.00 0.00 174.62 174.22 3nkw n LEU 153 N -0.40 0.80 -4.76 9.08 4.77 -1.26 -4.55 117.00 120.67 3nkw n LEU 153 Ca -0.10 -0.17 -0.41 0.00 -0.03 0.00 0.00 56.01 55.29 3nkw n LEU 153 Cb 0.62 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3nkw n LEU 153 CO 0.13 0.17 1.13 -0.24 -1.33 0.00 0.00 177.39 177.25 3nkw n SER 154 N -1.14 3.69 -1.58 -1.43 2.88 -1.26 -0.87 113.62 113.91 3nkw n SER 154 Ca 0.08 1.21 -0.08 0.00 -1.33 0.00 0.00 58.87 58.75 3nkw n SER 154 Cb 0.35 -1.60 0.15 0.00 -0.75 0.00 0.00 64.21 62.36 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 0.75 2.29 0.00 -1.46 -0.04 -1.26 -0.49 135.00 134.79 3nkw n PRO 155 Ca 0.03 -1.80 0.00 0.00 -0.04 0.00 0.00 63.50 61.69 3nkw n PRO 155 Cb 0.38 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 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 -0.17 -0.14 0.28 0.55 0.00 -0.05 -4.37 105.19 101.28 3nkw n GLY 156 Ca 0.28 -1.39 0.07 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.12 -0.02 1.61 3.32 -1.68 0.35 116.42 119.87 3nkw h ASP 157 Ca 0.00 0.17 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 3nkw h ASP 157 Cb 0.00 0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.82 3nkw h ASP 157 CO 0.00 -0.12 -0.42 -0.09 -1.72 0.00 0.00 179.24 176.90 3nkw h ARG 158 N 0.19 0.32 -0.42 3.56 9.65 -1.38 -1.79 114.38 124.52 3nkw h ARG 158 Ca 0.44 -0.31 0.01 0.00 -1.10 0.00 0.00 59.98 59.02 3nkw h ARG 158 Cb 0.80 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.44 3nkw h ARG 158 CO -0.60 1.00 0.26 1.25 2.80 0.00 0.00 179.97 184.68 3nkw h LEU 159 N -0.24 0.43 -0.75 3.80 6.46 -1.51 -2.58 115.31 120.92 3nkw h LEU 159 Ca -0.05 -0.00 0.15 0.00 -0.12 0.00 0.00 57.88 57.86 3nkw h LEU 159 Cb 1.13 -0.10 -0.10 0.00 -0.73 0.00 0.00 40.66 40.86 3nkw h LEU 159 CO 0.08 0.31 0.26 0.22 -0.62 0.00 0.00 178.44 178.69 3nkw h TYR 160 N 0.53 0.43 -0.70 1.25 3.20 -0.16 0.25 116.97 121.77 3nkw h TYR 160 Ca 0.16 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 3nkw h TYR 160 Cb -0.02 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3nkw h TYR 160 CO -0.06 0.00 0.36 0.93 -1.64 0.00 0.00 178.16 177.75 3nkw h GLU 161 N 0.38 0.98 0.12 1.82 5.08 -1.04 -2.98 114.58 118.93 3nkw h GLU 161 Ca 0.42 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 3nkw h GLU 161 Cb 0.67 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3nkw h GLU 161 CO -0.44 0.74 -0.06 0.82 -1.00 0.00 0.00 179.01 179.07 3nkw h ILE 162 N 0.98 1.00 0.00 3.13 2.04 -0.60 -3.20 117.51 120.87 3nkw h ILE 162 Ca 0.25 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3nkw h ILE 162 Cb 0.07 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3nkw h ILE 162 CO -0.04 0.12 -0.04 0.16 0.00 0.00 0.00 178.15 178.36 3nkw h ILE 163 N -0.38 0.21 0.00 -0.67 3.07 -1.22 -2.15 117.51 116.37 3nkw h ILE 163 Ca -0.02 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 66.11 3nkw h ILE 163 Cb 0.31 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 38.09 3nkw h ILE 163 CO 0.03 0.03 0.00 0.00 -1.05 0.00 0.00 178.15 177.16 3nkw n GLN 164 N -3.31 0.02 0.05 0.16 6.02 -1.14 -1.66 117.38 117.53 3nkw n GLN 164 Ca -0.02 0.10 0.12 0.00 -0.01 0.00 0.00 57.00 57.19 3nkw n GLN 164 Cb 0.18 -1.50 0.16 0.00 1.02 0.00 0.00 30.24 30.10 3nkw n GLN 164 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3nkw n THR 165 N -1.49 0.30 -2.24 5.09 -1.04 -0.81 -4.92 114.28 109.18 3nkw n THR 165 Ca 0.06 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.05 61.42 3nkw n THR 165 Cb 0.27 -0.06 -0.03 0.00 -1.82 0.00 0.00 70.33 68.69 3nkw n THR 165 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 3nkw s TRP 166 N -3.16 3.25 0.56 -1.42 0.52 -0.66 -4.91 118.94 113.13 3nkw s TRP 166 Ca 0.06 1.40 0.35 0.00 0.02 0.00 0.00 56.10 57.93 3nkw s TRP 166 Cb 0.14 -3.56 1.47 0.00 -1.15 0.00 0.00 33.47 30.37 3nkw s TRP 166 CO 0.73 -1.58 1.73 1.03 0.02 0.00 0.00 176.95 178.89 3nkw h SER 167 N 4.33 0.00 -0.08 2.95 0.87 -1.93 0.55 113.55 120.25 3nkw h SER 167 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 3nkw h SER 167 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 3nkw h SER 167 CO 0.71 0.00 0.00 1.41 -0.53 0.00 0.00 176.83 178.42 3nkw n HIS 168 N -3.93 0.08 -1.85 2.24 8.25 -1.26 -4.99 115.22 113.77 3nkw n HIS 168 Ca 0.23 -0.06 -0.42 0.00 -0.26 0.00 0.00 57.72 57.21 3nkw n HIS 168 Cb 1.24 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.32 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 -1.22 2.98 -0.03 4.41 5.04 0.18 -0.50 117.35 128.22 3nkw s TYR 169 Ca 0.19 0.55 0.02 0.00 -2.44 0.00 0.00 57.07 55.39 3nkw s TYR 169 Cb 0.13 -4.02 0.01 0.00 0.35 0.00 0.00 41.96 38.43 3nkw s TYR 169 CO 0.19 -3.75 -0.07 0.50 -1.34 0.00 0.00 175.55 171.08 3nkw s ARG 170 N 0.97 0.85 0.00 4.97 3.52 -1.01 -4.84 118.95 123.40 3nkw s ARG 170 Ca 0.71 -0.22 0.00 0.00 -0.13 0.00 0.00 55.73 56.09 3nkw s ARG 170 Cb -0.46 -0.81 0.00 0.00 -1.56 0.00 0.00 34.95 32.12 3nkw s ARG 170 CO 0.33 0.05 0.00 0.00 -0.81 0.00 0.00 175.30 174.87