#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ntk n HIS 2 N 0.00 0.00 1.13 0.66 1.44 -1.26 -2.38 115.22 114.80 1ntk n HIS 2 Ca 0.00 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.78 1ntk n HIS 2 Cb 0.00 -0.24 0.22 0.00 0.12 0.00 0.00 29.99 30.08 1ntk n HIS 2 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1ntk n THR 3 N -1.24 0.34 0.82 0.61 -2.24 -1.26 -2.64 114.28 108.66 1ntk n THR 3 Ca 0.13 -0.37 0.12 0.00 -2.27 0.00 0.00 64.05 61.65 1ntk n THR 3 Cb 0.18 0.22 0.15 0.00 -2.10 0.00 0.00 70.33 68.79 1ntk n THR 3 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ntk n ASP 4 N 0.32 0.60 -4.53 3.42 10.43 -1.00 -4.82 116.55 120.97 1ntk n ASP 4 Ca 0.12 -0.23 -0.41 0.00 2.57 0.00 0.00 54.79 56.84 1ntk n ASP 4 Cb 0.27 0.42 -0.03 0.00 1.84 0.00 0.00 41.12 43.61 1ntk n ASP 4 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1ntk s ILE 5 N -3.08 3.97 0.12 0.53 1.01 -1.08 -4.99 121.20 117.68 1ntk s ILE 5 Ca 0.08 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.32 1ntk s ILE 5 Cb 0.16 -4.94 -0.06 0.00 0.01 0.00 0.00 42.46 37.63 1ntk s ILE 5 CO 0.74 -1.81 0.38 -0.75 0.00 0.00 0.00 174.94 173.49 1ntk s LYS 6 N 4.94 3.65 -0.05 2.79 2.20 -1.26 -5.07 119.74 126.94 1ntk s LYS 6 Ca 0.38 -0.03 -0.30 0.00 -0.36 0.00 0.00 55.97 55.66 1ntk s LYS 6 Cb -0.05 -2.89 -0.02 0.00 -1.51 0.00 0.00 37.83 33.36 1ntk s LYS 6 CO 0.02 0.49 0.99 0.08 -0.36 0.00 0.00 175.35 176.57 1ntk s VAL 7 N -1.59 4.83 0.46 4.02 1.01 -1.26 -5.00 120.40 122.88 1ntk s VAL 7 Ca 0.39 2.05 -0.24 0.00 0.00 0.00 0.00 61.98 64.18 1ntk s VAL 7 Cb -0.12 -4.32 -0.08 0.00 0.00 0.00 0.00 36.38 31.85 1ntk s VAL 7 CO 0.23 0.09 1.22 -2.65 0.00 0.00 0.00 175.10 173.98 1ntk n PRO 8 N 4.41 1.70 -1.95 2.72 -0.02 -1.26 -4.92 135.00 135.68 1ntk n PRO 8 Ca 0.07 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.75 1ntk n PRO 8 Cb 0.50 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.62 1ntk n PRO 8 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ntk s ASP 9 N -0.70 6.55 0.00 2.55 -1.08 -1.26 -4.96 116.67 117.77 1ntk s ASP 9 Ca 0.65 2.84 0.04 0.00 -0.52 0.00 0.00 52.55 55.55 1ntk s ASP 9 Cb -0.49 -2.65 0.04 0.00 -1.46 0.00 0.00 42.92 38.36 1ntk s ASP 9 CO 0.55 -0.73 0.66 0.49 0.52 0.00 0.00 175.17 176.66 1ntk n PHE 10 N 1.20 0.01 -0.39 -5.34 3.01 -1.26 -4.72 117.46 109.97 1ntk n PHE 10 Ca 0.03 -0.04 0.38 0.00 1.01 0.00 0.00 57.45 58.82 1ntk n PHE 10 Cb 0.40 -0.00 0.65 0.00 -0.01 0.00 0.00 39.48 40.51 1ntk n PHE 10 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1ntk h SER 11 N 0.76 0.00 0.22 4.37 0.02 -1.96 0.77 113.55 117.74 1ntk h SER 11 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ntk h SER 11 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1ntk h SER 11 CO 0.00 0.00 0.00 -0.67 -1.14 0.00 0.00 176.83 175.02 1ntk n ASP 12 N -3.65 0.00 0.00 3.07 4.64 -1.26 -3.28 116.55 116.07 1ntk n ASP 12 Ca 0.30 -0.09 0.00 0.00 -1.38 0.00 0.00 54.79 53.63 1ntk n ASP 12 Cb 1.61 -0.21 0.00 0.00 -1.04 0.00 0.00 41.12 41.47 1ntk n ASP 12 CO 0.00 0.00 0.00 -1.22 -0.82 0.00 0.00 177.20 175.16 1ntk n TYR 13 N -1.21 0.00 -1.93 -0.67 4.01 0.27 -5.10 117.16 112.52 1ntk n TYR 13 Ca 0.09 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.43 1ntk n TYR 13 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 1ntk n TYR 13 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1ntk s ARG 14 N -0.28 3.95 0.56 -0.72 0.52 -1.00 -5.00 118.95 116.97 1ntk s ARG 14 Ca 0.00 2.32 -0.21 0.00 -0.52 0.00 0.00 55.73 57.33 1ntk s ARG 14 Cb 0.00 -2.80 -0.04 0.00 0.52 0.00 0.00 34.95 32.63 1ntk s ARG 14 CO 0.00 -0.57 1.27 1.03 0.02 0.00 0.00 175.30 177.05 1ntk s ARG 15 N -2.23 3.13 0.55 3.54 0.52 -1.26 -4.91 118.95 118.29 1ntk s ARG 15 Ca 0.57 2.01 0.27 0.00 -0.52 0.00 0.00 55.73 58.06 1ntk s ARG 15 Cb -0.42 -2.14 1.61 0.00 0.52 0.00 0.00 34.95 34.52 1ntk s ARG 15 CO 0.54 -1.13 2.16 -1.35 0.02 0.00 0.00 175.30 175.55 1ntk h PRO 16 N 1.29 0.00 0.00 3.54 0.11 -1.98 -1.69 132.00 133.27 1ntk h PRO 16 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ntk h PRO 16 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1ntk h PRO 16 CO 0.57 0.06 0.00 0.39 -0.21 0.00 0.00 178.00 178.81 1ntk n GLU 17 N -3.81 0.45 -0.02 1.05 4.71 -1.26 -3.25 120.64 118.51 1ntk n GLU 17 Ca -0.02 0.04 0.03 0.00 -0.01 0.00 0.00 57.16 57.20 1ntk n GLU 17 Cb 0.15 -1.50 0.04 0.00 -1.01 0.00 0.00 31.44 29.13 1ntk n GLU 17 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1ntk n VAL 18 N -1.22 1.27 0.13 2.62 0.31 -0.64 -4.72 118.33 116.07 1ntk n VAL 18 Ca 0.13 -1.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.08 1ntk n VAL 18 Cb 0.17 0.27 0.06 0.00 -0.91 0.00 0.00 33.84 33.43 1ntk n VAL 18 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1ntk h LEU 19 N 0.00 0.00 -9.14 7.52 3.38 -1.61 -3.45 115.31 112.01 1ntk h LEU 19 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1ntk h LEU 19 Cb 0.67 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 1ntk h LEU 19 CO 0.00 0.62 0.57 -0.62 0.09 0.00 0.00 178.44 179.10 1ntk s ASP 20 N -6.55 7.05 0.33 -0.43 3.68 -1.26 -4.91 116.67 114.58 1ntk s ASP 20 Ca 0.02 1.30 0.26 0.00 2.13 0.00 0.00 52.55 56.26 1ntk s ASP 20 Cb 0.09 -2.50 1.06 0.00 -1.45 0.00 0.00 42.92 40.13 1ntk s ASP 20 CO 0.75 -0.51 1.78 0.28 0.13 0.00 0.00 175.17 177.60 1ntk h SER 21 N 7.36 0.00 -0.01 -0.34 0.02 -2.00 -2.72 113.55 115.85 1ntk h SER 21 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1ntk h SER 21 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1ntk h SER 21 CO 0.89 0.00 -0.43 0.35 -1.14 0.00 0.00 176.83 176.50 1ntk n THR 22 N -2.44 0.00 -3.98 -2.27 -2.24 -1.26 -4.91 114.28 97.17 1ntk n THR 22 Ca 0.02 -0.28 -0.35 0.00 -2.27 0.00 0.00 64.05 61.17 1ntk n THR 22 Cb 0.26 1.25 -0.10 0.00 -2.10 0.00 0.00 70.33 69.64 1ntk n THR 22 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ntk s LYS 23 N -2.44 3.93 0.29 -0.78 1.02 -1.03 -5.07 119.74 115.66 1ntk s LYS 23 Ca 0.19 -0.37 -0.30 0.00 0.02 0.00 0.00 55.97 55.52 1ntk s LYS 23 Cb 0.18 -3.23 -0.11 0.00 -0.52 0.00 0.00 37.83 34.16 1ntk s LYS 23 CO 0.55 0.21 1.53 0.45 -0.92 0.00 0.00 175.35 177.17 1ntk s SER 24 N 0.55 6.46 0.01 2.83 0.15 -1.26 -4.88 113.70 117.56 1ntk s SER 24 Ca 0.03 2.87 0.28 0.00 0.70 0.00 0.00 55.95 59.83 1ntk s SER 24 Cb -0.13 -2.63 1.06 0.00 -1.71 0.00 0.00 66.02 62.61 1ntk s SER 24 CO 0.01 -0.84 1.81 -1.54 1.20 0.00 0.00 173.24 173.89 1ntk n SER 25 N 2.06 0.15 0.27 5.45 3.41 -1.26 -3.53 113.62 120.17 1ntk n SER 25 Ca 0.07 0.36 0.12 0.00 -0.26 0.00 0.00 58.87 59.16 1ntk n SER 25 Cb 0.38 -0.36 0.76 0.00 -0.26 0.00 0.00 64.21 64.73 1ntk n SER 25 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1ntk h LYS 26 N 0.00 0.00 -0.40 4.33 1.57 -1.99 -1.84 116.57 118.24 1ntk h LYS 26 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1ntk h LYS 26 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1ntk h LYS 26 CO 0.00 0.08 -0.02 0.93 -0.57 0.00 0.00 179.45 179.87 1ntk h GLU 27 N 0.00 0.73 -0.41 3.15 4.39 -1.97 -2.90 114.58 117.57 1ntk h GLU 27 Ca -0.00 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1ntk h GLU 27 Cb 0.21 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1ntk h GLU 27 CO 0.01 0.82 0.00 -1.13 -1.16 0.00 0.00 179.01 177.56 1ntk n SER 28 N -4.42 2.78 0.01 1.42 3.41 -1.03 -4.36 113.62 111.44 1ntk n SER 28 Ca -0.01 -1.93 -0.10 0.00 -0.26 0.00 0.00 58.87 56.57 1ntk n SER 28 Cb 0.31 -0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 63.94 1ntk n SER 28 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1ntk h SER 29 N 3.35 -0.18 0.02 4.04 0.87 -1.12 0.15 113.55 120.67 1ntk h SER 29 Ca 0.00 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1ntk h SER 29 Cb 0.75 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1ntk h SER 29 CO 0.00 -0.08 -0.01 -0.33 -0.53 0.00 0.00 176.83 175.88 1ntk h GLU 30 N -0.07 -0.02 -0.50 2.24 5.08 -1.76 -2.50 114.58 117.05 1ntk h GLU 30 Ca 0.05 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1ntk h GLU 30 Cb 0.14 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1ntk h GLU 30 CO -0.12 0.26 0.27 0.00 -1.00 0.00 0.00 179.01 178.42 1ntk h ALA 31 N 0.67 0.64 0.02 3.43 0.00 -1.78 0.21 119.26 122.45 1ntk h ALA 31 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ntk h ALA 31 Cb 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ntk h ALA 31 CO 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 179.25 179.18 1ntk h ARG 32 N 0.52 -0.02 -0.55 0.00 3.08 -0.96 -2.10 114.38 114.35 1ntk h ARG 32 Ca 0.21 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 1ntk h ARG 32 Cb 0.10 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1ntk h ARG 32 CO -0.14 0.27 0.26 0.87 -1.07 0.00 0.00 179.97 180.17 1ntk h LYS 33 N -0.32 0.80 -0.39 0.04 1.57 -1.35 -3.00 116.57 113.92 1ntk h LYS 33 Ca -0.00 -0.12 0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1ntk h LYS 33 Cb 0.31 -0.14 -0.09 0.00 0.08 0.00 0.00 32.23 32.39 1ntk h LYS 33 CO 0.00 0.66 -0.26 0.78 -0.57 0.00 0.00 179.45 180.07 1ntk h GLY 34 N 0.75 -0.08 0.33 3.86 0.00 -0.49 -0.85 103.07 106.59 1ntk h GLY 34 Ca 0.19 0.33 0.02 0.00 0.00 0.00 0.00 47.33 47.87 1ntk h GLY 34 CO -0.02 -0.21 -0.36 -2.75 0.00 0.00 0.00 176.54 173.20 1ntk h PHE 35 N -0.20 -1.00 -0.53 5.60 3.04 -1.24 0.37 116.94 122.99 1ntk h PHE 35 Ca 0.18 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.13 1ntk h PHE 35 Cb 0.49 0.43 -0.03 0.00 2.56 0.00 0.00 35.95 39.40 1ntk h PHE 35 CO -0.48 -0.46 0.19 0.77 -2.02 0.00 0.00 178.31 176.30 1ntk h SER 36 N -0.57 0.71 -0.26 0.41 0.02 -1.43 0.38 113.55 112.82 1ntk h SER 36 Ca 0.04 -0.10 -0.20 0.00 -0.84 0.00 0.00 61.79 60.69 1ntk h SER 36 Cb 0.61 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1ntk h SER 36 CO -0.24 0.66 -0.60 1.88 -1.14 0.00 0.00 176.83 177.40 1ntk h TYR 37 N 0.76 1.10 -0.63 3.45 0.05 -0.86 -2.25 116.97 118.60 1ntk h TYR 37 Ca 0.18 -0.41 0.06 0.00 0.05 0.00 0.00 58.73 58.60 1ntk h TYR 37 Cb 0.19 -0.20 -0.05 0.00 1.01 0.00 0.00 36.73 37.68 1ntk h TYR 37 CO 0.01 1.25 0.34 1.25 -1.05 0.00 0.00 178.16 179.96 1ntk h LEU 38 N 0.65 0.50 -0.33 3.88 5.85 0.40 0.51 115.31 126.76 1ntk h LEU 38 Ca -0.00 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.82 1ntk h LEU 38 Cb 1.21 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.11 1ntk h LEU 38 CO 0.13 0.32 -0.13 0.58 -0.34 0.00 0.00 178.44 179.00 1ntk h VAL 39 N 0.63 0.56 -0.10 1.05 2.07 -0.75 0.65 116.25 120.37 1ntk h VAL 39 Ca 0.28 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.62 1ntk h VAL 39 Cb 0.19 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1ntk h VAL 39 CO -0.18 0.00 -0.70 0.71 0.02 0.00 0.00 177.57 177.42 1ntk h THR 40 N -0.07 1.36 0.17 2.57 1.35 -0.80 -1.95 112.91 115.55 1ntk h THR 40 Ca 0.17 -2.07 0.01 0.00 -0.55 0.00 0.00 66.41 63.96 1ntk h THR 40 Cb 0.33 2.05 -0.02 0.00 -1.73 0.00 0.00 68.15 68.78 1ntk h THR 40 CO -0.38 0.63 -0.20 0.00 -0.25 0.00 0.00 175.52 175.31 1ntk h ALA 41 N 0.93 -0.39 0.07 6.62 0.00 0.56 0.54 119.26 127.59 1ntk h ALA 41 Ca -0.02 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ntk h ALA 41 Cb 1.27 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 1ntk h ALA 41 CO 0.12 -0.75 -0.33 1.15 0.00 0.00 0.00 179.25 179.44 1ntk h THR 42 N -0.42 0.29 -0.72 0.00 2.02 -0.91 0.14 112.91 113.31 1ntk h THR 42 Ca 0.01 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.28 1ntk h THR 42 Cb 0.41 0.29 -0.11 0.00 -1.74 0.00 0.00 68.15 67.00 1ntk h THR 42 CO -0.07 0.00 -0.50 0.74 0.37 0.00 0.00 175.52 176.06 1ntk h THR 43 N -0.53 0.03 -0.47 3.16 2.02 -1.09 0.22 112.91 116.25 1ntk h THR 43 Ca 0.04 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 1ntk h THR 43 Cb 0.58 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1ntk h THR 43 CO -0.23 0.00 0.11 0.00 0.37 0.00 0.00 175.52 175.77 1ntk h THR 44 N -0.17 1.21 -0.94 3.16 1.03 -0.61 0.08 112.91 116.67 1ntk h THR 44 Ca 0.17 -0.75 0.05 0.00 -0.01 0.00 0.00 66.41 65.87 1ntk h THR 44 Cb 0.53 0.73 -0.06 0.00 -1.07 0.00 0.00 68.15 68.29 1ntk h THR 44 CO -0.78 0.28 0.61 0.58 -0.01 0.00 0.00 175.52 176.20 1ntk h VAL 45 N 0.69 1.11 -0.05 0.00 2.07 0.16 0.15 116.25 120.39 1ntk h VAL 45 Ca 0.16 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1ntk h VAL 45 Cb 0.27 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1ntk h VAL 45 CO -0.00 0.20 0.02 1.23 0.02 0.00 0.00 177.57 179.04 1ntk h GLY 46 N 1.12 0.08 1.01 2.17 0.00 0.11 -2.16 103.07 105.40 1ntk h GLY 46 Ca 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1ntk h GLY 46 CO -0.14 0.04 0.52 -2.08 0.00 0.00 0.00 176.54 174.89 1ntk h VAL 47 N -0.10 1.22 -0.25 4.60 2.07 -0.65 -2.64 116.25 120.50 1ntk h VAL 47 Ca 0.02 -0.43 0.06 0.00 0.82 0.00 0.00 66.70 67.17 1ntk h VAL 47 Cb 0.18 0.03 -0.08 0.00 -1.52 0.00 0.00 31.29 29.91 1ntk h VAL 47 CO -0.00 0.22 -0.36 0.00 0.02 0.00 0.00 177.57 177.45 1ntk h ALA 48 N 1.29 -0.37 -0.41 1.67 0.00 -0.51 0.73 119.26 121.66 1ntk h ALA 48 Ca 0.30 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.33 1ntk h ALA 48 Cb -0.10 0.71 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1ntk h ALA 48 CO -0.06 -0.81 0.00 -0.92 0.00 0.00 0.00 179.25 177.46 1ntk h TYR 49 N -0.36 -0.02 -0.08 0.00 3.20 -1.19 0.36 116.97 118.89 1ntk h TYR 49 Ca 0.12 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.90 1ntk h TYR 49 Cb 0.57 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1ntk h TYR 49 CO -0.49 -0.08 -0.50 0.00 -1.64 0.00 0.00 178.16 175.45 1ntk h ALA 50 N 1.36 1.01 -0.23 1.82 0.00 -0.90 -2.73 119.26 119.59 1ntk h ALA 50 Ca 0.20 -0.47 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 1ntk h ALA 50 Cb 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ntk h ALA 50 CO -0.34 0.65 -0.49 0.00 0.00 0.00 0.00 179.25 179.08 1ntk h ALA 51 N 1.32 0.36 -0.00 0.00 0.00 0.10 -2.53 119.26 118.52 1ntk h ALA 51 Ca 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ntk h ALA 51 Cb 0.94 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1ntk h ALA 51 CO 0.08 0.53 -0.10 -0.22 0.00 0.00 0.00 179.25 179.54 1ntk h LYS 52 N 0.45 -0.12 -0.26 0.00 1.63 -0.84 -2.11 116.57 115.33 1ntk h LYS 52 Ca 0.00 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.86 1ntk h LYS 52 Cb 1.10 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 32.68 1ntk h LYS 52 CO 0.11 -0.08 -0.51 -0.91 -3.45 0.00 0.00 179.45 174.61 1ntk h ASN 53 N -0.13 -1.65 -0.81 4.20 4.21 -1.47 0.30 115.58 120.23 1ntk h ASN 53 Ca 0.00 0.21 0.04 0.00 1.21 0.00 0.00 56.30 57.77 1ntk h ASN 53 Cb 0.14 0.67 -0.05 0.00 -1.12 0.00 0.00 38.32 37.96 1ntk h ASN 53 CO -0.07 -0.44 0.51 1.62 -1.29 0.00 0.00 177.43 177.76 1ntk h VAL 54 N -0.48 1.08 -0.22 2.81 3.04 -1.50 0.72 116.25 121.71 1ntk h VAL 54 Ca 0.07 -0.33 -0.01 0.00 -1.01 0.00 0.00 66.70 65.42 1ntk h VAL 54 Cb 0.64 0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 29.95 1ntk h VAL 54 CO -0.50 0.17 0.08 0.58 -1.01 0.00 0.00 177.57 176.90 1ntk h VAL 55 N 0.96 1.17 0.13 1.51 2.07 -0.63 -1.30 116.25 120.16 1ntk h VAL 55 Ca 0.34 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1ntk h VAL 55 Cb 0.08 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1ntk h VAL 55 CO -0.14 0.17 -0.32 0.28 0.02 0.00 0.00 177.57 177.57 1ntk h SER 56 N 0.19 -0.93 -0.88 0.57 0.02 0.18 0.17 113.55 112.88 1ntk h SER 56 Ca 0.07 0.11 0.16 0.00 -0.84 0.00 0.00 61.79 61.29 1ntk h SER 56 Cb 0.18 0.35 -0.10 0.00 0.14 0.00 0.00 62.40 62.97 1ntk h SER 56 CO -0.01 -0.41 0.46 1.56 -1.14 0.00 0.00 176.83 177.30 1ntk h GLN 57 N -0.55 0.61 -0.48 3.45 4.20 -0.79 0.23 115.11 121.78 1ntk h GLN 57 Ca 0.03 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 1ntk h GLN 57 Cb 0.58 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1ntk h GLN 57 CO -0.19 0.41 -0.13 0.74 -0.67 0.00 0.00 178.83 178.99 1ntk h PHE 58 N 0.63 1.01 0.28 2.96 -1.00 -0.67 -2.75 116.94 117.40 1ntk h PHE 58 Ca 0.49 -0.20 -0.01 0.00 2.81 0.00 0.00 57.97 61.05 1ntk h PHE 58 Cb 0.72 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 40.04 1ntk h PHE 58 CO -0.08 0.97 -0.14 0.28 -1.61 0.00 0.00 178.31 177.73 1ntk h VAL 59 N 0.81 0.73 0.00 -0.55 2.07 0.12 -3.06 116.25 116.37 1ntk h VAL 59 Ca 0.13 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1ntk h VAL 59 Cb 0.66 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1ntk h VAL 59 CO 0.05 0.01 0.00 -1.28 0.02 0.00 0.00 177.57 176.37 1ntk h SER 60 N -0.40 0.00 0.00 0.57 0.87 -0.55 -2.77 113.55 111.27 1ntk h SER 60 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1ntk h SER 60 Cb 0.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1ntk h SER 60 CO 0.06 0.00 0.00 -1.54 -0.53 0.00 0.00 176.83 174.82 1ntk n SER 61 N -2.92 0.00 -0.00 6.23 3.41 -1.04 -2.52 113.62 116.77 1ntk n SER 61 Ca -0.02 -0.69 0.02 0.00 -0.26 0.00 0.00 58.87 57.91 1ntk n SER 61 Cb 0.10 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 1ntk n SER 61 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1ntk n MET 62 N -1.00 0.47 -0.22 4.33 2.81 -1.05 -4.83 117.12 117.63 1ntk n MET 62 Ca 0.17 -0.04 -0.01 0.00 -1.81 0.00 0.00 57.70 56.01 1ntk n MET 62 Cb 0.08 -1.10 0.06 0.00 -0.71 0.00 0.00 33.22 31.54 1ntk n MET 62 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1ntk h SER 63 N 0.00 -0.75 0.00 7.83 0.87 -1.58 -3.43 113.55 116.49 1ntk h SER 63 Ca -0.01 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1ntk h SER 63 Cb 0.31 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1ntk h SER 63 CO 0.00 -0.24 0.00 0.00 -0.53 0.00 0.00 176.83 176.06 1ntk n ALA 64 N -3.13 0.00 -1.68 6.23 0.00 -1.26 -5.13 120.51 115.54 1ntk n ALA 64 Ca 0.07 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.05 1ntk n ALA 64 Cb 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.76 1ntk n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ntk n SER 65 N 0.00 3.69 0.19 0.00 2.88 -1.26 -4.82 113.62 114.31 1ntk n SER 65 Ca 0.00 0.95 0.06 0.00 -1.33 0.00 0.00 58.87 58.55 1ntk n SER 65 Cb 0.00 -1.43 0.09 0.00 -0.75 0.00 0.00 64.21 62.12 1ntk n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ntk n ALA 66 N 6.77 0.21 0.12 -1.46 0.00 -1.26 0.24 120.51 125.13 1ntk n ALA 66 Ca 0.21 0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.49 1ntk n ALA 66 Cb 0.33 -0.13 -0.14 0.00 0.00 0.00 0.00 19.45 19.51 1ntk n ALA 66 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1ntk h ASP 67 N 0.00 0.86 0.00 0.00 2.03 -2.06 -3.36 116.42 113.89 1ntk h ASP 67 Ca 0.10 -0.85 0.00 0.00 -0.73 0.00 0.00 57.03 55.56 1ntk h ASP 67 Cb 2.08 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 40.30 1ntk h ASP 67 CO -0.00 1.65 0.00 0.52 -1.03 0.00 0.00 179.24 180.38 1ntk n VAL 68 N -3.75 0.08 -0.35 4.15 0.31 0.14 -3.83 118.33 115.08 1ntk n VAL 68 Ca -0.15 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.28 1ntk n VAL 68 Cb 1.04 -0.34 0.29 0.00 -0.91 0.00 0.00 33.84 33.92 1ntk n VAL 68 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1ntk n LEU 69 N 0.32 3.78 -4.64 7.52 4.77 -1.26 -4.99 117.00 122.50 1ntk n LEU 69 Ca 0.00 -2.03 -0.29 0.00 -0.03 0.00 0.00 56.01 53.66 1ntk n LEU 69 Cb 0.15 -0.44 0.18 0.00 -2.33 0.00 0.00 43.42 40.99 1ntk n LEU 69 CO 0.00 0.92 0.62 0.00 -1.33 0.00 0.00 177.39 177.60 1ntk s ALA 70 N -1.06 0.77 0.00 -1.18 0.00 -1.25 -5.01 121.76 114.04 1ntk s ALA 70 Ca 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1ntk s ALA 70 Cb 0.23 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1ntk s ALA 70 CO 0.29 -2.97 0.00 -1.33 0.00 0.00 0.00 175.76 171.75 1ntk n MET 71 N -4.30 0.00 0.00 0.00 2.81 -1.26 -4.89 117.12 109.48 1ntk n MET 71 Ca 0.05 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1ntk n MET 71 Cb 0.56 -0.01 0.00 0.00 -0.71 0.00 0.00 33.22 33.05 1ntk n MET 71 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1ntk n SER 72 N 0.00 0.00 -4.27 7.83 2.88 -1.26 -4.74 113.62 114.06 1ntk n SER 72 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 1ntk n SER 72 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 1ntk n SER 72 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1ntk s LYS 73 N 0.00 2.66 0.02 -1.46 1.02 -1.26 -4.53 119.74 116.19 1ntk s LYS 73 Ca 0.00 -0.89 0.07 0.00 0.02 0.00 0.00 55.97 55.18 1ntk s LYS 73 Cb 0.00 -2.21 -0.02 0.00 -0.52 0.00 0.00 37.83 35.08 1ntk s LYS 73 CO 0.00 0.35 -0.21 -1.50 -0.92 0.00 0.00 175.35 173.07 1ntk s ILE 74 N -0.09 1.70 -0.19 2.17 2.07 -0.90 -4.99 121.20 120.96 1ntk s ILE 74 Ca -0.06 -1.07 -0.01 0.00 -1.41 0.00 0.00 60.65 58.10 1ntk s ILE 74 Cb -0.14 -1.44 0.00 0.00 0.13 0.00 0.00 42.46 41.01 1ntk s ILE 74 CO 0.04 0.34 -0.12 -1.61 -1.91 0.00 0.00 174.94 171.69 1ntk s GLU 75 N -0.86 3.20 -0.12 3.50 2.02 -1.26 -1.58 118.70 123.60 1ntk s GLU 75 Ca 0.08 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.35 1ntk s GLU 75 Cb -0.09 -2.78 -0.02 0.00 0.10 0.00 0.00 34.13 31.35 1ntk s GLU 75 CO 0.01 -0.17 -0.13 0.42 0.02 0.00 0.00 175.26 175.40 1ntk s ILE 76 N 1.31 3.04 -0.37 -1.63 1.01 -0.53 -5.00 121.20 119.03 1ntk s ILE 76 Ca 0.04 -0.67 -0.27 0.00 0.00 0.00 0.00 60.65 59.74 1ntk s ILE 76 Cb -0.14 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 40.08 1ntk s ILE 76 CO -0.07 0.53 1.01 -0.75 0.00 0.00 0.00 174.94 175.66 1ntk s LYS 77 N 0.27 3.91 0.32 2.79 2.20 -1.26 -2.10 119.74 125.87 1ntk s LYS 77 Ca -0.10 0.76 0.04 0.00 -0.36 0.00 0.00 55.97 56.32 1ntk s LYS 77 Cb -0.16 -3.79 0.54 0.00 -1.51 0.00 0.00 37.83 32.91 1ntk s LYS 77 CO 0.05 -0.99 1.81 -0.07 -0.36 0.00 0.00 175.35 175.79 1ntk h LEU 78 N 10.24 0.45 -0.15 5.43 3.38 0.61 -3.01 115.31 132.27 1ntk h LEU 78 Ca -0.22 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1ntk h LEU 78 Cb 1.07 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1ntk h LEU 78 CO 1.02 0.61 0.00 -1.54 0.09 0.00 0.00 178.44 178.62 1ntk n SER 79 N -4.21 0.09 0.10 -0.43 3.41 -1.26 -1.92 113.62 109.40 1ntk n SER 79 Ca 0.00 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.26 1ntk n SER 79 Cb 0.32 -0.54 0.19 0.00 -0.26 0.00 0.00 64.21 63.91 1ntk n SER 79 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ntk h ASP 80 N 0.00 0.00 -3.30 4.04 3.32 -1.90 -3.42 116.42 115.17 1ntk h ASP 80 Ca 0.00 -0.10 -0.73 0.00 0.02 0.00 0.00 57.03 56.22 1ntk h ASP 80 Cb 0.14 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.40 1ntk h ASP 80 CO 0.00 0.05 -0.39 -0.63 -1.72 0.00 0.00 179.24 176.55 1ntk s ILE 81 N -3.20 4.23 0.96 0.35 1.01 -0.81 -5.09 121.20 118.66 1ntk s ILE 81 Ca 0.06 -1.76 -0.12 0.00 0.00 0.00 0.00 60.65 58.82 1ntk s ILE 81 Cb 0.11 -3.78 0.17 0.00 0.01 0.00 0.00 42.46 38.97 1ntk s ILE 81 CO 0.70 -0.77 1.09 -2.16 0.00 0.00 0.00 174.94 173.81 1ntk s PRO 82 N 1.37 0.74 0.18 2.79 0.04 -1.26 -4.80 135.00 134.06 1ntk s PRO 82 Ca 0.06 0.61 -0.33 0.00 0.04 0.00 0.00 61.00 61.37 1ntk s PRO 82 Cb -0.26 -1.77 -0.13 0.00 0.04 0.00 0.00 34.50 32.38 1ntk s PRO 82 CO -0.01 -2.54 1.64 0.39 0.04 0.00 0.00 177.00 176.52 1ntk n GLU 83 N -4.06 2.40 -0.15 4.56 1.02 -1.26 -3.06 120.64 120.09 1ntk n GLU 83 Ca 0.06 0.87 0.00 0.00 -0.02 0.00 0.00 57.16 58.07 1ntk n GLU 83 Cb 0.57 -2.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.32 1ntk n GLU 83 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ntk n GLY 84 N 3.65 0.88 3.74 0.62 0.00 -0.14 -4.99 105.19 108.94 1ntk n GLY 84 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1ntk n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ntk s LYS 85 N -0.66 3.07 -0.36 1.61 2.20 -1.17 -4.96 119.74 119.48 1ntk s LYS 85 Ca 0.00 -0.38 -0.14 0.00 -0.36 0.00 0.00 55.97 55.10 1ntk s LYS 85 Cb 0.00 -2.87 -0.01 0.00 -1.51 0.00 0.00 37.83 33.44 1ntk s LYS 85 CO 0.00 0.70 0.26 1.21 -0.36 0.00 0.00 175.35 177.17 1ntk s ASN 86 N -1.10 6.08 -0.22 1.43 2.47 -1.26 -2.77 114.94 119.56 1ntk s ASN 86 Ca 0.16 -0.53 -0.09 0.00 0.42 0.00 0.00 52.86 52.81 1ntk s ASN 86 Cb -0.12 -2.15 -0.04 0.00 -1.45 0.00 0.00 41.25 37.49 1ntk s ASN 86 CO 0.05 -0.30 0.12 -0.32 -3.72 0.00 0.00 177.10 172.93 1ntk s MET 87 N 1.73 3.99 -0.13 0.43 -2.45 -0.68 -4.96 119.30 117.24 1ntk s MET 87 Ca 0.06 -0.32 -0.04 0.00 -1.25 0.00 0.00 55.69 54.14 1ntk s MET 87 Cb -0.18 -3.42 -0.04 0.00 1.25 0.00 0.00 34.83 32.45 1ntk s MET 87 CO 0.11 0.09 0.03 0.00 1.05 0.00 0.00 175.02 176.30 1ntk s ALA 88 N 0.93 3.35 0.45 4.11 0.00 -1.26 -0.48 121.76 128.86 1ntk s ALA 88 Ca 0.06 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.28 1ntk s ALA 88 Cb -0.13 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 1ntk s ALA 88 CO 0.03 0.43 0.06 -0.06 0.00 0.00 0.00 175.76 176.22 1ntk s PHE 89 N -0.38 1.88 -0.20 0.00 0.40 -0.33 -4.95 117.98 114.40 1ntk s PHE 89 Ca 0.08 -1.08 -0.06 0.00 -0.60 0.00 0.00 56.93 55.27 1ntk s PHE 89 Cb -0.12 -1.40 -0.03 0.00 0.51 0.00 0.00 43.02 41.97 1ntk s PHE 89 CO 0.02 -0.00 0.03 0.21 0.70 0.00 0.00 175.22 176.18 1ntk s LYS 90 N -3.79 3.75 -0.13 0.44 2.20 -1.26 -1.70 119.74 119.25 1ntk s LYS 90 Ca 0.17 -0.46 -0.04 0.00 -0.36 0.00 0.00 55.97 55.28 1ntk s LYS 90 Cb 0.03 -3.15 0.06 0.00 -1.51 0.00 0.00 37.83 33.26 1ntk s LYS 90 CO 0.10 0.09 0.23 -0.46 -0.36 0.00 0.00 175.35 174.94 1ntk s TRP 91 N 0.83 -0.33 -1.39 4.03 -0.00 0.24 -4.86 118.94 117.46 1ntk s TRP 91 Ca 0.02 0.75 -0.03 0.00 -0.00 0.00 0.00 56.10 56.84 1ntk s TRP 91 Cb -0.14 -0.15 0.00 0.00 -0.00 0.00 0.00 33.47 33.18 1ntk s TRP 91 CO 0.02 -0.37 0.45 0.54 -0.00 0.00 0.00 176.95 177.59 1ntk n ARG 92 N 5.34 -3.85 -0.91 5.86 1.74 -1.26 -1.88 116.66 121.69 1ntk n ARG 92 Ca -0.05 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.83 1ntk n ARG 92 Cb 0.50 -5.41 0.00 0.00 -1.02 0.00 0.00 32.46 26.53 1ntk n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ntk n GLY 93 N -1.37 0.57 3.32 -0.13 0.00 -1.26 -5.00 105.19 101.32 1ntk n GLY 93 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 1ntk n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ntk s LYS 94 N -0.40 1.24 0.25 1.61 -0.14 -0.79 -5.12 119.74 116.39 1ntk s LYS 94 Ca 0.00 -1.39 -0.30 0.00 -1.36 0.00 0.00 55.97 52.92 1ntk s LYS 94 Cb 0.00 -1.27 -0.10 0.00 -1.68 0.00 0.00 37.83 34.78 1ntk s LYS 94 CO 0.00 0.26 1.45 -2.14 -0.76 0.00 0.00 175.35 174.15 1ntk s PRO 95 N -2.81 4.26 -0.14 -1.68 0.02 -1.26 -0.59 135.00 132.79 1ntk s PRO 95 Ca 0.15 2.32 0.01 0.00 0.02 0.00 0.00 61.00 63.50 1ntk s PRO 95 Cb -0.05 -3.10 0.02 0.00 0.02 0.00 0.00 34.50 31.38 1ntk s PRO 95 CO 0.06 -0.43 -0.18 -1.17 -0.33 0.00 0.00 177.00 174.95 1ntk s LEU 96 N -0.39 1.89 -0.20 -5.54 2.96 -0.69 0.83 118.68 117.55 1ntk s LEU 96 Ca 0.59 -0.54 -0.10 0.00 -0.22 0.00 0.00 54.13 53.86 1ntk s LEU 96 Cb -0.42 -1.29 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 1ntk s LEU 96 CO 0.44 0.00 0.15 -0.36 -1.32 0.00 0.00 176.35 175.26 1ntk s PHE 97 N 1.18 3.41 -0.23 5.38 0.08 0.24 -1.19 117.98 126.85 1ntk s PHE 97 Ca -0.00 0.36 0.02 0.00 0.12 0.00 0.00 56.93 57.43 1ntk s PHE 97 Cb -0.14 -2.18 0.05 0.00 -0.57 0.00 0.00 43.02 40.18 1ntk s PHE 97 CO -0.07 0.28 -0.11 0.08 -0.10 0.00 0.00 175.22 175.29 1ntk s VAL 98 N 0.39 1.93 -0.11 -0.44 1.01 0.37 -0.47 120.40 123.07 1ntk s VAL 98 Ca 0.09 -1.32 0.03 0.00 0.00 0.00 0.00 61.98 60.78 1ntk s VAL 98 Cb -0.11 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.26 1ntk s VAL 98 CO -0.01 0.09 -0.23 -0.60 0.00 0.00 0.00 175.10 174.35 1ntk s ARG 99 N 1.24 3.00 -0.51 2.72 3.52 -0.18 -1.69 118.95 127.05 1ntk s ARG 99 Ca -0.05 -0.86 -0.23 0.00 -0.13 0.00 0.00 55.73 54.46 1ntk s ARG 99 Cb -0.18 -2.32 0.04 0.00 -1.56 0.00 0.00 34.95 30.93 1ntk s ARG 99 CO -0.07 0.11 0.85 -1.58 -0.81 0.00 0.00 175.30 173.80 1ntk s HIS 100 N 0.50 2.89 0.15 5.12 5.65 -1.12 -1.81 115.29 126.68 1ntk s HIS 100 Ca -0.15 -0.02 -0.17 0.00 0.25 0.00 0.00 55.06 54.97 1ntk s HIS 100 Cb -0.17 -3.87 -0.07 0.00 -1.18 0.00 0.00 32.58 27.29 1ntk s HIS 100 CO 0.05 -1.19 0.60 1.03 -0.65 0.00 0.00 174.74 174.59 1ntk s ARG 101 N 3.55 4.11 0.68 2.88 0.52 -0.30 -0.97 118.95 129.42 1ntk s ARG 101 Ca 0.28 0.66 -0.08 0.00 -0.52 0.00 0.00 55.73 56.07 1ntk s ARG 101 Cb -0.13 -2.99 0.04 0.00 0.52 0.00 0.00 34.95 32.39 1ntk s ARG 101 CO 0.20 0.49 1.01 0.95 0.02 0.00 0.00 175.30 177.97 1ntk s THR 102 N -1.40 2.82 0.30 0.02 -4.23 -1.26 -4.71 115.64 107.17 1ntk s THR 102 Ca 0.37 -0.05 0.04 0.00 -1.18 0.00 0.00 61.69 60.87 1ntk s THR 102 Cb -0.17 -3.20 0.29 0.00 1.34 0.00 0.00 72.50 70.77 1ntk s THR 102 CO 0.20 -0.23 1.81 0.50 -0.54 0.00 0.00 174.62 176.36 1ntk h LYS 103 N -0.53 0.85 -0.57 3.99 3.64 -1.98 -2.06 116.57 119.91 1ntk h LYS 103 Ca -0.45 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1ntk h LYS 103 Cb 1.29 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 1ntk h LYS 103 CO 0.62 0.56 0.34 -0.22 -2.27 0.00 0.00 179.45 178.48 1ntk h LYS 104 N 0.88 0.78 -0.57 1.90 3.64 -2.00 -2.82 116.57 118.37 1ntk h LYS 104 Ca 0.53 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.78 1ntk h LYS 104 Cb 0.68 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1ntk h LYS 104 CO -0.31 0.57 0.12 0.93 -2.27 0.00 0.00 179.45 178.49 1ntk h GLU 105 N 0.77 0.93 -0.32 1.90 5.08 -1.75 -2.29 114.58 118.90 1ntk h GLU 105 Ca 0.20 -0.23 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1ntk h GLU 105 Cb -0.00 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 1ntk h GLU 105 CO -0.04 0.87 0.09 0.82 -1.00 0.00 0.00 179.01 179.76 1ntk h ILE 106 N 0.83 0.88 -0.62 3.13 2.04 -1.36 -2.26 117.51 120.16 1ntk h ILE 106 Ca 0.18 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.91 1ntk h ILE 106 Cb 0.37 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1ntk h ILE 106 CO 0.01 0.04 0.16 0.44 0.00 0.00 0.00 178.15 178.79 1ntk h ASP 107 N 0.22 0.89 -0.75 1.72 3.32 -1.44 -2.62 116.42 117.76 1ntk h ASP 107 Ca 0.15 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1ntk h ASP 107 Cb 0.14 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1ntk h ASP 107 CO -0.17 0.86 0.26 -0.61 -1.72 0.00 0.00 179.24 177.86 1ntk h GLN 108 N 0.92 1.15 -0.11 3.56 4.15 -1.06 -2.33 115.11 121.38 1ntk h GLN 108 Ca 0.20 -0.23 -0.14 0.00 0.77 0.00 0.00 58.65 59.24 1ntk h GLN 108 Cb 0.31 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1ntk h GLN 108 CO -0.00 0.96 -0.55 0.93 -1.93 0.00 0.00 178.83 178.24 1ntk h GLU 109 N 1.10 0.32 0.00 1.69 4.39 -1.31 -2.93 114.58 117.84 1ntk h GLU 109 Ca 0.24 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1ntk h GLU 109 Cb 0.28 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1ntk h GLU 109 CO -0.01 0.79 -0.10 0.00 -1.16 0.00 0.00 179.01 178.52 1ntk h ALA 110 N 1.17 1.00 0.00 3.43 0.00 -1.29 -3.10 119.26 120.46 1ntk h ALA 110 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ntk h ALA 110 Cb 1.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1ntk h ALA 110 CO 0.09 0.13 -0.44 0.00 0.00 0.00 0.00 179.25 179.03 1ntk n ALA 111 N -2.15 3.03 -1.85 0.00 0.00 -0.89 -4.94 120.51 113.72 1ntk n ALA 111 Ca 0.01 -0.25 -0.42 0.00 0.00 0.00 0.00 53.44 52.78 1ntk n ALA 111 Cb 0.40 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 1ntk n ALA 111 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ntk s VAL 112 N -3.07 2.43 -0.68 0.00 1.01 -1.17 -4.92 120.40 113.99 1ntk s VAL 112 Ca 0.10 0.34 -0.26 0.00 0.00 0.00 0.00 61.98 62.16 1ntk s VAL 112 Cb 0.16 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1ntk s VAL 112 CO 0.68 0.05 1.82 -0.70 0.00 0.00 0.00 175.10 176.94 1ntk s GLU 113 N 0.11 2.68 0.20 2.72 -6.30 -1.26 -4.90 118.70 111.95 1ntk s GLU 113 Ca 0.64 0.35 -0.10 0.00 -2.50 0.00 0.00 54.97 53.36 1ntk s GLU 113 Cb -0.45 -4.51 0.25 0.00 0.00 0.00 0.00 34.13 29.43 1ntk s GLU 113 CO 0.41 -2.78 1.77 0.28 0.02 0.00 0.00 175.26 174.96 1ntk h VAL 114 N 6.88 0.87 0.00 3.70 2.07 -1.93 -2.69 116.25 125.14 1ntk h VAL 114 Ca -0.19 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1ntk h VAL 114 Cb 1.12 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1ntk h VAL 114 CO 1.23 0.10 0.00 -1.54 0.02 0.00 0.00 177.57 177.37 1ntk n SER 115 N -4.90 0.57 -0.08 0.57 3.41 -1.26 -1.84 113.62 110.10 1ntk n SER 115 Ca 0.08 0.69 0.13 0.00 -0.26 0.00 0.00 58.87 59.52 1ntk n SER 115 Cb 0.22 -0.80 0.48 0.00 -0.26 0.00 0.00 64.21 63.85 1ntk n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ntk n GLN 116 N -2.19 0.37 -2.66 4.33 1.13 -1.01 -4.92 117.38 112.43 1ntk n GLN 116 Ca 0.01 -0.15 -0.36 0.00 -1.94 0.00 0.00 57.00 54.55 1ntk n GLN 116 Cb 0.14 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 28.94 1ntk n GLN 116 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1ntk s LEU 117 N -2.73 4.21 0.19 1.08 1.43 -0.76 -4.98 118.68 117.11 1ntk s LEU 117 Ca 0.20 1.94 -0.08 0.00 -1.03 0.00 0.00 54.13 55.16 1ntk s LEU 117 Cb 0.19 -4.14 0.10 0.00 0.03 0.00 0.00 46.19 42.37 1ntk s LEU 117 CO 0.56 -0.31 1.63 -0.09 0.23 0.00 0.00 176.35 178.37 1ntk h ARG 118 N 2.73 0.99 -3.23 1.70 2.43 -1.89 -3.33 114.38 113.77 1ntk h ARG 118 Ca -0.48 -0.35 -0.63 0.00 -0.81 0.00 0.00 59.98 57.72 1ntk h ARG 118 Cb 1.20 -0.07 -0.41 0.00 -0.42 0.00 0.00 29.97 30.27 1ntk h ARG 118 CO 0.63 1.02 -0.66 0.34 -1.51 0.00 0.00 179.97 179.80 1ntk s ASP 119 N -6.65 4.15 -0.10 -3.80 2.15 -1.26 -5.03 116.67 106.13 1ntk s ASP 119 Ca -0.11 -3.01 -0.32 0.00 0.43 0.00 0.00 52.55 49.55 1ntk s ASP 119 Cb 0.13 -1.46 -0.09 0.00 -0.30 0.00 0.00 42.92 41.19 1ntk s ASP 119 CO 0.85 -0.22 2.01 -0.81 -0.17 0.00 0.00 175.17 176.83 1ntk n PRO 120 N 3.09 2.27 -3.65 4.34 -0.04 -1.25 -4.86 135.00 134.89 1ntk n PRO 120 Ca 0.08 0.78 -0.10 0.00 -0.04 0.00 0.00 63.50 64.22 1ntk n PRO 120 Cb 0.33 -2.88 -0.08 0.00 -0.04 0.00 0.00 33.50 30.84 1ntk n PRO 120 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1ntk s GLN 121 N 4.89 0.71 0.40 0.54 -0.21 -1.26 -5.13 119.66 119.59 1ntk s GLN 121 Ca 0.95 1.05 -0.23 0.00 0.02 0.00 0.00 55.36 57.14 1ntk s GLN 121 Cb -0.55 0.23 -0.10 0.00 1.00 0.00 0.00 33.01 33.59 1ntk s GLN 121 CO 0.45 -0.13 0.97 -1.58 -2.12 0.00 0.00 175.29 172.89 1ntk s HIS 122 N 1.04 3.40 0.29 0.91 5.65 -1.26 -4.96 115.29 120.35 1ntk s HIS 122 Ca -0.06 1.67 -0.02 0.00 0.25 0.00 0.00 55.06 56.90 1ntk s HIS 122 Cb -0.05 -2.94 0.42 0.00 -1.18 0.00 0.00 32.58 28.83 1ntk s HIS 122 CO -0.10 -0.16 1.94 0.22 -0.65 0.00 0.00 174.74 175.99 1ntk h ASP 123 N 2.38 0.99 0.22 9.88 3.58 -1.97 -2.17 116.42 129.34 1ntk h ASP 123 Ca -0.48 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 56.95 1ntk h ASP 123 Cb 1.19 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1ntk h ASP 123 CO 0.62 0.70 0.00 0.18 -2.88 0.00 0.00 179.24 177.86 1ntk n LEU 124 N -4.43 0.00 -0.73 2.28 4.77 -1.26 -1.19 117.00 116.44 1ntk n LEU 124 Ca 0.11 0.23 0.07 0.00 -0.03 0.00 0.00 56.01 56.40 1ntk n LEU 124 Cb 0.07 -0.23 0.15 0.00 -2.33 0.00 0.00 43.42 41.08 1ntk n LEU 124 CO 0.35 -0.12 0.61 -1.84 -1.33 0.00 0.00 177.39 175.06 1ntk n GLU 125 N -1.23 2.27 0.00 3.23 0.28 -0.82 -4.30 120.64 120.06 1ntk n GLU 125 Ca 0.07 -1.94 0.03 0.00 -0.16 0.00 0.00 57.16 55.16 1ntk n GLU 125 Cb 0.10 -1.32 -0.01 0.00 1.43 0.00 0.00 31.44 31.65 1ntk n GLU 125 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1ntk n ARG 126 N 0.79 3.13 -4.16 3.44 1.74 -0.33 -4.98 116.66 116.28 1ntk n ARG 126 Ca 0.13 -0.33 -0.11 0.00 -0.77 0.00 0.00 57.85 56.77 1ntk n ARG 126 Cb 0.44 -0.88 -0.10 0.00 -1.02 0.00 0.00 32.46 30.89 1ntk n ARG 126 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1ntk s VAL 127 N -1.06 0.66 -0.26 1.55 -7.23 -1.13 -4.77 120.40 108.17 1ntk s VAL 127 Ca 0.04 -1.87 -0.02 0.00 -1.81 0.00 0.00 61.98 58.32 1ntk s VAL 127 Cb 0.04 -1.60 -0.16 0.00 0.56 0.00 0.00 36.38 35.21 1ntk s VAL 127 CO 0.15 -0.85 -0.22 0.29 -0.31 0.00 0.00 175.10 174.16 1ntk n LYS 128 N 0.06 0.64 -4.24 4.82 5.02 -1.26 -4.86 118.16 118.35 1ntk n LYS 128 Ca -0.13 0.18 -0.34 0.00 -2.02 0.00 0.00 58.31 56.00 1ntk n LYS 128 Cb 0.60 -1.53 -0.15 0.00 -0.02 0.00 0.00 35.03 33.94 1ntk n LYS 128 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ntk s LYS 129 N -2.52 3.25 0.54 1.97 1.02 -1.26 -5.02 119.74 117.72 1ntk s LYS 129 Ca -0.35 -0.71 0.32 0.00 0.02 0.00 0.00 55.97 55.25 1ntk s LYS 129 Cb 0.10 -2.76 1.49 0.00 -0.52 0.00 0.00 37.83 36.14 1ntk s LYS 129 CO 0.59 -0.09 1.88 -1.35 -0.92 0.00 0.00 175.35 175.46 1ntk h PRO 130 N 7.66 0.00 -0.00 -1.68 0.11 -1.98 0.51 132.00 136.62 1ntk h PRO 130 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1ntk h PRO 130 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ntk h PRO 130 CO 0.60 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.54 1ntk n GLU 131 N -4.23 1.06 -3.79 1.05 0.00 -1.26 -4.73 120.64 108.73 1ntk n GLU 131 Ca 0.19 -0.09 -0.25 0.00 0.00 0.00 0.00 57.16 57.01 1ntk n GLU 131 Cb 0.98 -1.46 -0.17 0.00 0.00 0.00 0.00 31.44 30.78 1ntk n GLU 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1ntk s TRP 132 N -2.00 0.92 -0.20 -1.84 0.52 0.17 -1.15 118.94 115.35 1ntk s TRP 132 Ca 0.44 -0.46 -0.03 0.00 0.02 0.00 0.00 56.10 56.07 1ntk s TRP 132 Cb 0.20 -0.94 -0.01 0.00 -1.15 0.00 0.00 33.47 31.57 1ntk s TRP 132 CO 0.34 -0.44 -0.06 0.54 0.02 0.00 0.00 176.95 177.36 1ntk s VAL 133 N 1.89 3.36 -0.19 4.03 0.11 -0.75 -4.49 120.40 124.36 1ntk s VAL 133 Ca 0.03 -0.51 -0.02 0.00 -2.93 0.00 0.00 61.98 58.56 1ntk s VAL 133 Cb -0.14 -2.51 -0.00 0.00 -1.53 0.00 0.00 36.38 32.20 1ntk s VAL 133 CO -0.06 0.44 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.42 1ntk s ILE 134 N 1.25 3.03 0.07 7.04 1.01 -1.26 -1.01 121.20 131.32 1ntk s ILE 134 Ca 0.03 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1ntk s ILE 134 Cb -0.14 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 1ntk s ILE 134 CO -0.02 0.47 -0.06 -0.76 0.00 0.00 0.00 174.94 174.57 1ntk s LEU 135 N 1.20 2.41 -0.25 2.97 1.43 0.38 -4.31 118.68 122.50 1ntk s LEU 135 Ca 0.02 -0.82 -0.28 0.00 -1.03 0.00 0.00 54.13 52.02 1ntk s LEU 135 Cb -0.14 -0.06 0.01 0.00 0.03 0.00 0.00 46.19 46.02 1ntk s LEU 135 CO -0.03 -0.38 0.99 -0.63 0.23 0.00 0.00 176.35 176.52 1ntk s ILE 136 N -2.78 4.69 0.00 -0.59 -1.09 -0.22 0.79 121.20 122.00 1ntk s ILE 136 Ca 0.02 1.85 -0.03 0.00 -2.23 0.00 0.00 60.65 60.26 1ntk s ILE 136 Cb -0.00 -4.28 -0.12 0.00 -1.58 0.00 0.00 42.46 36.48 1ntk s ILE 136 CO -0.03 -0.21 1.93 0.61 -1.23 0.00 0.00 174.94 176.01 1ntk n GLY 137 N 3.54 1.93 2.84 6.18 0.00 0.24 -4.44 105.19 115.49 1ntk n GLY 137 Ca 0.10 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 1ntk n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ntk s VAL 138 N 1.91 0.82 0.19 1.61 1.01 -1.26 -4.33 120.40 120.35 1ntk s VAL 138 Ca 0.29 -0.31 -0.31 0.00 0.00 0.00 0.00 61.98 61.66 1ntk s VAL 138 Cb 0.14 -0.97 -0.09 0.00 0.00 0.00 0.00 36.38 35.45 1ntk s VAL 138 CO 0.00 0.20 1.42 0.00 0.00 0.00 0.00 175.10 176.72 1ntk n THR 140 N 3.07 0.92 0.00 0.00 -2.24 -1.26 -1.31 114.28 113.46 1ntk n THR 140 Ca 0.09 0.23 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 1ntk n THR 140 Cb 0.41 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 1ntk n THR 140 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1ntk n HIS 141 N -1.45 0.00 -2.00 4.78 -0.00 -1.26 -4.50 115.22 110.79 1ntk n HIS 141 Ca 0.04 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.81 1ntk n HIS 141 Cb 0.16 -0.37 0.09 0.00 -0.00 0.00 0.00 29.99 29.87 1ntk n HIS 141 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1ntk n LEU 142 N -1.62 1.58 -0.14 0.27 4.77 -1.25 -4.99 117.00 115.62 1ntk n LEU 142 Ca 0.00 -2.62 -0.02 0.00 -0.03 0.00 0.00 56.01 53.34 1ntk n LEU 142 Cb 0.00 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 1ntk n LEU 142 CO 0.00 0.80 -0.02 0.61 -1.33 0.00 0.00 177.39 177.45 1ntk n GLY 143 N -0.29 0.48 3.66 -0.72 0.00 -0.43 -5.00 105.19 102.89 1ntk n GLY 143 Ca 0.11 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1ntk n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ntk s VAL 145 N -3.05 5.26 0.29 0.00 1.01 -1.26 -0.93 120.40 121.71 1ntk s VAL 145 Ca 0.68 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 1ntk s VAL 145 Cb -0.14 -3.82 -0.10 0.00 0.00 0.00 0.00 36.38 32.32 1ntk s VAL 145 CO 0.56 -0.15 1.43 -2.84 0.00 0.00 0.00 175.10 174.11 1ntk s PRO 146 N 1.74 4.25 -0.15 2.72 0.02 -1.26 -4.71 135.00 137.61 1ntk s PRO 146 Ca 0.06 2.35 -0.18 0.00 0.02 0.00 0.00 61.00 63.25 1ntk s PRO 146 Cb -0.18 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.23 1ntk s PRO 146 CO 0.11 -0.41 0.50 0.42 -0.33 0.00 0.00 177.00 177.29 1ntk s ILE 147 N -0.40 5.16 0.27 2.83 1.01 0.19 -4.80 121.20 125.46 1ntk s ILE 147 Ca 0.57 0.96 -0.30 0.00 0.00 0.00 0.00 60.65 61.88 1ntk s ILE 147 Cb -0.43 -3.83 -0.10 0.00 0.01 0.00 0.00 42.46 38.11 1ntk s ILE 147 CO 0.48 0.27 1.48 0.00 0.00 0.00 0.00 174.94 177.18 1ntk s ALA 148 N 1.00 3.65 -1.38 9.38 0.00 -1.26 -1.64 121.76 131.51 1ntk s ALA 148 Ca 0.26 1.41 -0.08 0.00 0.00 0.00 0.00 51.96 53.54 1ntk s ALA 148 Cb -0.15 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.41 1ntk s ALA 148 CO 0.10 -0.82 1.08 0.09 0.00 0.00 0.00 175.76 176.21 1ntk n ASN 149 N 2.13 -5.09 -4.17 0.00 3.02 -0.14 -4.95 115.26 106.06 1ntk n ASN 149 Ca 0.07 -0.63 -0.12 0.00 -0.03 0.00 0.00 54.58 53.87 1ntk n ASN 149 Cb 0.39 -4.70 -0.10 0.00 -0.61 0.00 0.00 39.78 34.76 1ntk n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ntk s ALA 150 N -3.34 1.01 0.00 5.41 0.00 -1.24 -4.93 121.76 118.67 1ntk s ALA 150 Ca 0.49 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1ntk s ALA 150 Cb -0.23 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1ntk s ALA 150 CO 0.76 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.77 1ntk n GLY 151 N 0.21 1.09 0.05 0.00 0.00 -1.26 -3.35 105.19 101.93 1ntk n GLY 151 Ca -0.14 -2.09 0.12 0.00 0.00 0.00 0.00 46.02 43.92 1ntk n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ntk n ASP 152 N 0.00 0.35 -0.21 1.61 8.00 -1.26 -3.80 116.55 121.24 1ntk n ASP 152 Ca 0.00 0.55 0.08 0.00 0.71 0.00 0.00 54.79 56.13 1ntk n ASP 152 Cb 0.00 -0.64 0.13 0.00 -0.02 0.00 0.00 41.12 40.59 1ntk n ASP 152 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ntk n PHE 153 N -1.85 0.17 -3.17 1.24 3.01 -1.26 -5.00 117.46 110.60 1ntk n PHE 153 Ca 0.05 -0.86 -0.22 0.00 1.01 0.00 0.00 57.45 57.43 1ntk n PHE 153 Cb 0.31 -0.15 0.01 0.00 -0.01 0.00 0.00 39.48 39.65 1ntk n PHE 153 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ntk n GLY 154 N -1.02 -0.50 0.00 1.37 0.00 -1.25 -4.08 105.19 99.71 1ntk n GLY 154 Ca 0.13 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1ntk n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ntk n GLY 155 N -1.32 0.29 3.05 -0.02 0.00 -1.23 -4.35 105.19 101.62 1ntk n GLY 155 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 1ntk n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ntk s TYR 156 N 0.00 0.25 -0.06 1.61 1.51 -0.40 -0.97 117.35 119.30 1ntk s TYR 156 Ca 0.00 -0.55 -0.00 0.00 -1.01 0.00 0.00 57.07 55.50 1ntk s TYR 156 Cb 0.00 -0.19 0.02 0.00 -0.11 0.00 0.00 41.96 41.69 1ntk s TYR 156 CO 0.00 -0.28 -0.03 -0.47 -1.11 0.00 0.00 175.55 173.66 1ntk s TYR 157 N -2.17 0.79 -0.35 2.71 5.04 -0.65 -0.31 117.35 122.42 1ntk s TYR 157 Ca -0.09 -0.25 -0.15 0.00 -2.44 0.00 0.00 57.07 54.14 1ntk s TYR 157 Cb -0.04 -0.79 -0.01 0.00 0.35 0.00 0.00 41.96 41.46 1ntk s TYR 157 CO -0.03 -0.29 0.36 0.00 -1.34 0.00 0.00 175.55 174.24 1ntk h PRO 159 N 8.51 0.00 -0.54 0.00 0.13 -1.87 -2.22 132.00 136.00 1ntk h PRO 159 Ca -0.29 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.85 1ntk h PRO 159 Cb 1.14 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 1ntk h PRO 159 CO 0.70 0.00 0.35 0.00 -0.23 0.00 0.00 178.00 178.82 1ntk n HIS 161 N -4.72 0.00 -2.14 0.00 8.25 -1.26 -5.06 115.22 110.29 1ntk n HIS 161 Ca 0.03 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1ntk n HIS 161 Cb 0.03 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.12 1ntk n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ntk n GLY 162 N -0.07 0.71 3.66 -1.41 0.00 -0.92 -4.56 105.19 102.60 1ntk n GLY 162 Ca 0.00 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 1ntk n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ntk s SER 163 N -2.93 6.66 -0.23 1.61 0.01 -0.88 -3.92 113.70 114.02 1ntk s SER 163 Ca 0.00 0.80 -0.07 0.00 1.31 0.00 0.00 55.95 57.99 1ntk s SER 163 Cb 0.00 -2.33 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 1ntk s SER 163 CO 0.00 -0.24 0.07 -1.00 0.41 0.00 0.00 173.24 172.49 1ntk s HIS 164 N 1.77 3.14 0.22 2.43 0.09 -0.01 -0.55 115.29 122.38 1ntk s HIS 164 Ca 0.28 -0.21 0.10 0.00 -0.00 0.00 0.00 55.06 55.23 1ntk s HIS 164 Cb -0.16 -2.19 -0.04 0.00 -0.00 0.00 0.00 32.58 30.19 1ntk s HIS 164 CO 0.10 -0.16 -0.11 0.71 -0.00 0.00 0.00 174.74 175.28 1ntk s TYR 165 N 1.17 2.54 0.33 1.40 1.51 0.58 -1.22 117.35 123.67 1ntk s TYR 165 Ca 0.05 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 1ntk s TYR 165 Cb -0.14 -1.19 0.07 0.00 -0.11 0.00 0.00 41.96 40.58 1ntk s TYR 165 CO 0.03 0.57 0.46 -0.40 -1.11 0.00 0.00 175.55 175.11 1ntk n ASP 166 N -0.28 0.66 0.00 2.29 5.68 -0.68 -1.27 116.55 122.94 1ntk n ASP 166 Ca -0.09 -1.54 0.09 0.00 -0.50 0.00 0.00 54.79 52.74 1ntk n ASP 166 Cb 0.57 -0.29 0.48 0.00 -1.14 0.00 0.00 41.12 40.74 1ntk n ASP 166 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ntk n ALA 167 N -2.93 2.04 0.92 2.12 0.00 -1.26 -1.07 120.51 120.33 1ntk n ALA 167 Ca -0.08 -0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.37 1ntk n ALA 167 Cb 0.27 -1.28 -0.09 0.00 0.00 0.00 0.00 19.45 18.35 1ntk n ALA 167 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ntk n SER 168 N -1.16 0.88 0.00 0.00 2.88 -1.26 -4.90 113.62 110.07 1ntk n SER 168 Ca 0.11 -0.84 0.00 0.00 -1.33 0.00 0.00 58.87 56.80 1ntk n SER 168 Cb 0.10 1.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.56 1ntk n SER 168 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ntk n GLY 169 N 1.48 0.72 3.79 0.46 0.00 -0.23 -4.95 105.19 106.45 1ntk n GLY 169 Ca 0.04 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1ntk n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ntk s ARG 170 N -0.51 4.46 0.07 1.61 0.52 -1.26 -1.78 118.95 122.06 1ntk s ARG 170 Ca 0.00 1.10 -0.30 0.00 -0.52 0.00 0.00 55.73 56.01 1ntk s ARG 170 Cb 0.00 -3.00 -0.05 0.00 0.52 0.00 0.00 34.95 32.42 1ntk s ARG 170 CO 0.00 0.43 1.13 -1.50 0.02 0.00 0.00 175.30 175.38 1ntk s ILE 171 N -1.41 4.19 0.00 1.52 1.10 -1.26 -1.69 121.20 123.64 1ntk s ILE 171 Ca 0.42 1.63 0.00 0.00 -0.51 0.00 0.00 60.65 62.19 1ntk s ILE 171 Cb -0.20 -4.04 0.00 0.00 0.15 0.00 0.00 42.46 38.37 1ntk s ILE 171 CO 0.24 0.16 0.00 0.54 -2.11 0.00 0.00 174.94 173.77 1ntk n ARG 172 N 3.59 2.22 -3.58 3.50 5.12 -0.36 -4.55 116.66 122.60 1ntk n ARG 172 Ca 0.07 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.84 1ntk n ARG 172 Cb 0.47 -0.84 -0.06 0.00 -1.16 0.00 0.00 32.46 30.88 1ntk n ARG 172 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1ntk s LYS 173 N -1.47 0.99 0.01 5.56 2.20 -1.19 -4.99 119.74 120.85 1ntk s LYS 173 Ca 0.00 -0.08 0.00 0.00 -0.36 0.00 0.00 55.97 55.53 1ntk s LYS 173 Cb 0.00 0.46 0.00 0.00 -1.51 0.00 0.00 37.83 36.78 1ntk s LYS 173 CO 0.00 -0.34 0.00 0.41 -0.36 0.00 0.00 175.35 175.06 1ntk n GLY 174 N 0.67 -4.00 0.16 5.54 0.00 -1.25 -0.83 105.19 105.48 1ntk n GLY 174 Ca -0.19 -2.05 0.13 0.00 0.00 0.00 0.00 46.02 43.91 1ntk n GLY 174 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ntk h PRO 175 N 0.00 0.00 -6.33 1.61 0.13 -1.81 -3.47 132.00 122.13 1ntk h PRO 175 Ca 0.00 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.49 1ntk h PRO 175 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 1ntk h PRO 175 CO 0.00 0.00 0.77 0.00 -0.23 0.00 0.00 178.00 178.54 1ntk n ALA 176 N -1.93 0.30 0.09 -0.56 0.00 -1.26 -4.90 120.51 112.25 1ntk n ALA 176 Ca 0.05 0.43 -0.04 0.00 0.00 0.00 0.00 53.44 53.87 1ntk n ALA 176 Cb 0.47 -2.28 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 1ntk n ALA 176 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ntk h PRO 177 N 6.36 0.00 -4.87 0.00 0.13 -1.91 -3.48 132.00 128.22 1ntk h PRO 177 Ca -0.47 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.32 1ntk h PRO 177 Cb 1.29 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.28 1ntk h PRO 177 CO 0.88 0.85 -0.61 -0.51 -0.23 0.00 0.00 178.00 178.38 1ntk s LEU 178 N -6.90 1.61 0.46 1.56 1.43 -1.26 -4.62 118.68 110.95 1ntk s LEU 178 Ca 0.01 -1.40 -0.22 0.00 -1.03 0.00 0.00 54.13 51.49 1ntk s LEU 178 Cb 0.10 0.05 -0.08 0.00 0.03 0.00 0.00 46.19 46.29 1ntk s LEU 178 CO 0.80 -0.75 1.06 0.20 0.23 0.00 0.00 176.35 177.89 1ntk s ASN 179 N -3.31 6.42 0.48 2.29 0.01 -1.26 -4.52 114.94 115.05 1ntk s ASN 179 Ca 0.38 2.03 -0.22 0.00 -0.71 0.00 0.00 52.86 54.34 1ntk s ASN 179 Cb 0.08 -2.58 -0.09 0.00 0.41 0.00 0.00 41.25 39.07 1ntk s ASN 179 CO 0.14 -0.73 0.90 0.18 -1.51 0.00 0.00 177.10 176.08 1ntk n LEU 180 N -0.62 2.43 -4.72 0.60 4.77 -0.73 -4.87 117.00 113.86 1ntk n LEU 180 Ca 0.08 0.93 -0.42 0.00 -0.03 0.00 0.00 56.01 56.57 1ntk n LEU 180 Cb 0.51 -1.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.25 1ntk n LEU 180 CO 0.43 -1.87 0.90 -0.70 -1.33 0.00 0.00 177.39 174.81 1ntk s GLU 181 N -2.16 4.45 -0.35 3.23 2.12 -1.26 -4.87 118.70 119.85 1ntk s GLU 181 Ca 0.67 1.84 -0.18 0.00 0.36 0.00 0.00 54.97 57.66 1ntk s GLU 181 Cb -0.51 -3.29 -0.00 0.00 0.26 0.00 0.00 34.13 30.58 1ntk s GLU 181 CO 0.54 -0.20 0.49 0.08 -0.54 0.00 0.00 175.26 175.63 1ntk s VAL 182 N 0.60 5.04 0.82 3.70 1.01 -1.26 -1.06 120.40 129.25 1ntk s VAL 182 Ca 0.57 0.27 -0.12 0.00 0.00 0.00 0.00 61.98 62.70 1ntk s VAL 182 Cb -0.31 -3.94 0.08 0.00 0.00 0.00 0.00 36.38 32.20 1ntk s VAL 182 CO 0.32 -0.20 1.11 -2.16 0.00 0.00 0.00 175.10 174.17 1ntk s PRO 183 N 2.32 1.93 -0.06 2.72 0.04 -1.26 -4.97 135.00 135.72 1ntk s PRO 183 Ca 0.17 0.55 -0.30 0.00 0.04 0.00 0.00 61.00 61.46 1ntk s PRO 183 Cb -0.16 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1ntk s PRO 183 CO 0.13 -1.71 1.57 0.45 0.04 0.00 0.00 177.00 177.49 1ntk s SER 184 N -3.97 6.72 0.13 6.66 0.15 -1.26 -4.97 113.70 117.16 1ntk s SER 184 Ca 0.61 2.15 -0.14 0.00 0.70 0.00 0.00 55.95 59.27 1ntk s SER 184 Cb -0.14 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.65 1ntk s SER 184 CO 0.54 -0.88 0.36 -0.72 1.20 0.00 0.00 173.24 173.74 1ntk s TYR 185 N 3.77 -0.08 0.05 3.44 -0.85 -1.26 -1.05 117.35 121.36 1ntk s TYR 185 Ca 0.70 -0.26 -0.19 0.00 -0.52 0.00 0.00 57.07 56.80 1ntk s TYR 185 Cb -0.32 0.19 0.04 0.00 0.38 0.00 0.00 41.96 42.25 1ntk s TYR 185 CO 0.27 -0.69 0.43 -1.83 -1.52 0.00 0.00 175.55 172.21 1ntk s GLU 186 N -3.83 0.94 -0.29 -3.49 -1.05 -1.17 -5.05 118.70 104.75 1ntk s GLU 186 Ca 0.05 -0.35 -0.12 0.00 -0.15 0.00 0.00 54.97 54.40 1ntk s GLU 186 Cb 0.02 0.42 -0.04 0.00 -0.44 0.00 0.00 34.13 34.09 1ntk s GLU 186 CO -0.10 -0.33 0.24 -0.06 0.95 0.00 0.00 175.26 175.96 1ntk s PHE 187 N -2.49 3.23 -0.85 4.83 0.08 -1.26 -2.29 117.98 119.22 1ntk s PHE 187 Ca -0.05 0.12 0.26 0.00 0.12 0.00 0.00 56.93 57.37 1ntk s PHE 187 Cb -0.01 -2.45 0.62 0.00 -0.57 0.00 0.00 43.02 40.61 1ntk s PHE 187 CO -0.02 -0.22 1.51 0.25 -0.10 0.00 0.00 175.22 176.64 1ntk n THR 188 N 5.09 0.18 -3.82 0.64 -2.24 -1.11 -4.97 114.28 108.04 1ntk n THR 188 Ca -0.13 -0.12 -0.01 0.00 -2.27 0.00 0.00 64.05 61.53 1ntk n THR 188 Cb 0.51 -0.10 0.01 0.00 -2.10 0.00 0.00 70.33 68.66 1ntk n THR 188 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ntk n SER 189 N -1.78 -1.01 0.25 3.42 3.41 -1.22 -4.96 113.62 111.72 1ntk n SER 189 Ca 0.05 -1.44 0.12 0.00 -0.26 0.00 0.00 58.87 57.35 1ntk n SER 189 Cb 0.38 1.62 0.62 0.00 -0.26 0.00 0.00 64.21 66.57 1ntk n SER 189 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1ntk h ASP 190 N 1.29 0.00 0.00 4.04 2.03 -2.04 -3.26 116.42 118.48 1ntk h ASP 190 Ca -0.16 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.13 1ntk h ASP 190 Cb 0.78 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.28 1ntk h ASP 190 CO 0.23 0.15 -1.56 -0.90 -1.03 0.00 0.00 179.24 176.12 1ntk n ASP 191 N -3.42 2.26 -4.56 4.15 5.75 -1.26 -4.86 116.55 114.61 1ntk n ASP 191 Ca -0.01 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.44 1ntk n ASP 191 Cb 0.33 1.51 -0.11 0.00 -1.03 0.00 0.00 41.12 41.81 1ntk n ASP 191 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1ntk s MET 192 N -2.80 2.61 -0.04 0.11 -1.94 -1.23 0.12 119.30 116.12 1ntk s MET 192 Ca -0.04 -0.65 0.01 0.00 -1.71 0.00 0.00 55.69 53.30 1ntk s MET 192 Cb 0.07 -2.50 0.02 0.00 2.01 0.00 0.00 34.83 34.43 1ntk s MET 192 CO 0.50 0.63 -0.07 0.54 -0.01 0.00 0.00 175.02 176.61 1ntk s VAL 193 N -0.86 0.67 -0.21 -6.03 0.11 -0.89 -2.77 120.40 110.42 1ntk s VAL 193 Ca 0.14 -0.22 -0.03 0.00 -2.93 0.00 0.00 61.98 58.93 1ntk s VAL 193 Cb -0.11 -0.66 -0.01 0.00 -1.53 0.00 0.00 36.38 34.08 1ntk s VAL 193 CO 0.03 0.25 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.36 1ntk s ILE 194 N 0.73 3.26 -0.15 7.04 1.01 -0.97 -1.45 121.20 130.67 1ntk s ILE 194 Ca -0.11 -0.53 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 1ntk s ILE 194 Cb -0.14 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 1ntk s ILE 194 CO 0.01 0.44 0.10 -0.69 0.00 0.00 0.00 174.94 174.79 1ntk s VAL 195 N 1.42 5.11 0.00 2.92 1.01 -0.62 -3.06 120.40 127.19 1ntk s VAL 195 Ca 0.05 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1ntk s VAL 195 Cb -0.14 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1ntk s VAL 195 CO -0.04 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.20