#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nnl h GLU 6 N 0.00 0.00 -0.09 4.33 4.39 -2.06 -1.24 114.58 119.92 1nnl h GLU 6 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1nnl h GLU 6 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1nnl h GLU 6 CO 0.00 0.02 -0.06 1.25 -1.16 0.00 0.00 179.01 179.06 1nnl h LEU 7 N 0.00 0.20 -0.86 1.33 5.85 -2.01 -1.59 115.31 118.23 1nnl h LEU 7 Ca -0.00 -0.44 -0.10 0.00 0.84 0.00 0.00 57.88 58.18 1nnl h LEU 7 Cb 0.10 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1nnl h LEU 7 CO 0.00 0.60 -0.49 0.08 -0.34 0.00 0.00 178.44 178.30 1nnl h ARG 8 N -0.20 0.00 -0.06 1.25 0.11 -1.81 -2.35 114.38 111.33 1nnl h ARG 8 Ca 0.02 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.06 1nnl h ARG 8 Cb 0.53 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.60 1nnl h ARG 8 CO 0.02 0.49 -0.14 -0.22 0.10 0.00 0.00 179.97 180.21 1nnl h LYS 9 N 0.00 0.09 0.00 0.08 3.64 -1.06 -0.67 116.57 118.64 1nnl h LYS 9 Ca -0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1nnl h LYS 9 Cb 0.99 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1nnl h LYS 9 CO 0.06 0.23 -0.13 1.25 -2.27 0.00 0.00 179.45 178.60 1nnl h LEU 10 N 0.08 0.00 -0.63 5.20 5.85 -0.72 -0.71 115.31 124.39 1nnl h LEU 10 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1nnl h LEU 10 Cb 0.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1nnl h LEU 10 CO 0.02 0.13 -0.07 0.49 -0.34 0.00 0.00 178.44 178.67 1nnl n PHE 11 N -4.06 0.00 -2.12 1.25 3.01 -0.27 -4.72 117.46 110.56 1nnl n PHE 11 Ca -0.02 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.02 1nnl n PHE 11 Cb 0.21 -0.05 -0.03 0.00 -0.01 0.00 0.00 39.48 39.60 1nnl n PHE 11 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1nnl s TYR 12 N -2.18 3.17 -0.02 1.38 5.04 -0.28 -2.59 117.35 121.87 1nnl s TYR 12 Ca 0.35 0.86 0.00 0.00 -2.44 0.00 0.00 57.07 55.84 1nnl s TYR 12 Cb 0.21 -3.74 0.00 0.00 0.35 0.00 0.00 41.96 38.78 1nnl s TYR 12 CO 0.40 -2.64 0.00 0.43 -1.34 0.00 0.00 175.55 172.40 1nnl n SER 13 N 4.06 -5.60 -4.75 4.32 7.64 -1.26 -4.95 113.62 113.09 1nnl n SER 13 Ca 0.12 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.60 1nnl n SER 13 Cb 0.41 -3.11 -0.02 0.00 -1.01 0.00 0.00 64.21 60.48 1nnl n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nnl s ALA 14 N -1.15 3.55 -0.49 -0.43 0.00 -1.07 -4.70 121.76 117.46 1nnl s ALA 14 Ca 0.00 1.24 0.11 0.00 0.00 0.00 0.00 51.96 53.31 1nnl s ALA 14 Cb 0.00 -3.50 -0.12 0.00 0.00 0.00 0.00 23.12 19.49 1nnl s ALA 14 CO 0.00 -0.65 0.46 -0.40 0.00 0.00 0.00 175.76 175.17 1nnl n ASP 15 N 1.78 0.61 -3.70 0.00 5.68 -0.76 -4.80 116.55 115.37 1nnl n ASP 15 Ca 0.04 -0.72 -0.13 0.00 -0.50 0.00 0.00 54.79 53.47 1nnl n ASP 15 Cb 0.41 1.03 -0.09 0.00 -1.14 0.00 0.00 41.12 41.33 1nnl n ASP 15 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nnl s ALA 16 N -2.08 -1.26 -0.09 2.12 0.00 -1.18 -1.90 121.76 117.37 1nnl s ALA 16 Ca 0.04 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1nnl s ALA 16 Cb 0.08 -0.82 0.02 0.00 0.00 0.00 0.00 23.12 22.40 1nnl s ALA 16 CO 0.45 -0.24 -0.08 0.08 0.00 0.00 0.00 175.76 175.97 1nnl s VAL 17 N 0.25 0.95 -0.18 0.00 1.01 -0.11 -1.00 120.40 121.32 1nnl s VAL 17 Ca -0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 1nnl s VAL 17 Cb -0.04 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1nnl s VAL 17 CO 0.01 0.34 -0.02 0.00 0.00 0.00 0.00 175.10 175.43 1nnl s PHE 19 N 0.69 3.04 0.50 0.00 0.40 -0.03 -0.89 117.98 121.69 1nnl s PHE 19 Ca -0.01 -0.08 -0.20 0.00 -0.60 0.00 0.00 56.93 56.04 1nnl s PHE 19 Cb -0.14 -1.85 -0.08 0.00 0.51 0.00 0.00 43.02 41.46 1nnl s PHE 19 CO 0.02 0.20 1.06 0.34 0.70 0.00 0.00 175.22 177.54 1nnl s ASP 20 N -0.27 6.16 -0.10 1.36 3.68 -0.19 -1.21 116.67 126.09 1nnl s ASP 20 Ca 0.05 2.00 -0.09 0.00 2.13 0.00 0.00 52.55 56.64 1nnl s ASP 20 Cb -0.13 -2.57 -0.03 0.00 -1.45 0.00 0.00 42.92 38.75 1nnl s ASP 20 CO 0.02 -0.91 -0.17 0.52 0.13 0.00 0.00 175.17 174.76 1nnl n VAL 21 N -1.08 0.96 -1.66 1.11 0.31 -1.15 -3.10 118.33 113.72 1nnl n VAL 21 Ca 0.10 0.29 -0.45 0.00 -0.01 0.00 0.00 64.34 64.27 1nnl n VAL 21 Cb 0.52 -2.08 -0.04 0.00 -0.91 0.00 0.00 33.84 31.33 1nnl n VAL 21 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1nnl n ASP 22 N -3.81 3.78 0.00 4.52 8.00 -1.26 -1.55 116.55 126.23 1nnl n ASP 22 Ca -0.07 0.87 0.00 0.00 0.71 0.00 0.00 54.79 56.30 1nnl n ASP 22 Cb 0.25 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 39.89 1nnl n ASP 22 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1nnl n SER 23 N 7.56 -0.12 0.00 -2.24 7.64 -0.70 -4.81 113.62 120.94 1nnl n SER 23 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1nnl n SER 23 Cb 0.36 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1nnl n SER 23 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1nnl n THR 24 N -2.03 0.00 0.02 0.44 -1.04 -0.67 -4.26 114.28 106.75 1nnl n THR 24 Ca 0.00 0.03 -0.05 0.00 -2.04 0.00 0.00 64.05 61.99 1nnl n THR 24 Cb 0.00 -0.85 0.15 0.00 -1.82 0.00 0.00 70.33 67.82 1nnl n THR 24 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1nnl h VAL 25 N 0.00 1.30 -2.33 12.58 2.07 -1.22 -3.42 116.25 125.24 1nnl h VAL 25 Ca 0.00 -1.51 -0.61 0.00 0.82 0.00 0.00 66.70 65.40 1nnl h VAL 25 Cb 0.00 1.56 -0.14 0.00 -1.52 0.00 0.00 31.29 31.19 1nnl h VAL 25 CO 0.00 0.47 -0.74 0.27 0.02 0.00 0.00 177.57 177.59 1nnl s ILE 26 N -4.26 2.66 0.19 4.57 -4.36 -0.98 -1.09 121.20 117.94 1nnl s ILE 26 Ca -0.07 -2.26 0.02 0.00 -0.26 0.00 0.00 60.65 58.08 1nnl s ILE 26 Cb 0.13 -2.39 -0.10 0.00 1.25 0.00 0.00 42.46 41.35 1nnl s ILE 26 CO 0.80 -0.36 1.46 0.03 0.24 0.00 0.00 174.94 177.11 1nnl h ARG 27 N 2.31 0.28 0.00 0.37 3.08 -1.21 -2.40 114.38 116.82 1nnl h ARG 27 Ca -0.42 -0.24 -0.13 0.00 0.07 0.00 0.00 59.98 59.27 1nnl h ARG 27 Cb 1.25 0.05 0.01 0.00 0.08 0.00 0.00 29.97 31.36 1nnl h ARG 27 CO 0.59 0.90 -0.02 0.39 -1.07 0.00 0.00 179.97 180.75 1nnl n GLU 28 N -3.80 0.93 -4.24 0.04 4.71 -1.26 -4.37 120.64 112.66 1nnl n GLU 28 Ca -0.03 -0.82 -0.34 0.00 -0.01 0.00 0.00 57.16 55.96 1nnl n GLU 28 Cb 0.71 -0.05 -0.15 0.00 -1.01 0.00 0.00 31.44 30.94 1nnl n GLU 28 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1nnl s GLU 29 N -2.67 3.21 0.23 3.49 2.02 -1.26 -1.72 118.70 122.00 1nnl s GLU 29 Ca 0.15 -0.73 -0.11 0.00 0.02 0.00 0.00 54.97 54.30 1nnl s GLU 29 Cb -0.01 -2.73 0.32 0.00 0.10 0.00 0.00 34.13 31.81 1nnl s GLU 29 CO 0.10 -0.10 1.61 0.78 0.02 0.00 0.00 175.26 177.67 1nnl h GLY 30 N 7.69 0.57 2.00 -1.39 0.00 -1.97 -0.44 103.07 109.54 1nnl h GLY 30 Ca -0.39 0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1nnl h GLY 30 CO 0.60 -0.28 -0.18 1.19 0.00 0.00 0.00 176.54 177.87 1nnl h ILE 31 N 0.01 0.93 -0.20 2.60 2.10 -1.97 -1.00 117.51 119.99 1nnl h ILE 31 Ca 0.36 -0.65 -0.21 0.00 1.08 0.00 0.00 64.86 65.44 1nnl h ILE 31 Cb 0.56 1.37 0.01 0.00 -1.09 0.00 0.00 36.82 37.67 1nnl h ILE 31 CO -0.74 0.17 -0.71 0.44 -1.08 0.00 0.00 178.15 176.23 1nnl h ASP 32 N 0.00 0.97 0.16 2.19 3.32 -1.52 -1.85 116.42 119.69 1nnl h ASP 32 Ca -0.00 -0.60 -0.11 0.00 0.02 0.00 0.00 57.03 56.35 1nnl h ASP 32 Cb 0.35 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1nnl h ASP 32 CO 0.02 1.40 -0.38 -0.33 -1.72 0.00 0.00 179.24 178.23 1nnl h GLU 33 N 0.59 0.30 -0.39 3.56 4.39 -0.93 -1.97 114.58 120.13 1nnl h GLU 33 Ca -0.03 -0.14 -0.12 0.00 0.34 0.00 0.00 59.36 59.42 1nnl h GLU 33 Cb 1.33 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.97 1nnl h GLU 33 CO 0.15 0.64 -0.21 1.25 -1.16 0.00 0.00 179.01 179.68 1nnl h LEU 34 N 0.25 0.86 -0.93 1.33 5.85 -1.13 -2.33 115.31 119.21 1nnl h LEU 34 Ca 0.03 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 1nnl h LEU 34 Cb 0.79 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1nnl h LEU 34 CO 0.06 1.08 0.54 0.00 -0.34 0.00 0.00 178.44 179.78 1nnl h ALA 35 N 0.80 1.19 0.18 1.25 0.00 -1.06 -1.49 119.26 120.14 1nnl h ALA 35 Ca 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1nnl h ALA 35 Cb 0.77 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1nnl h ALA 35 CO 0.06 0.67 -0.09 0.87 0.00 0.00 0.00 179.25 180.77 1nnl h LYS 36 N 1.29 -0.24 0.00 0.00 1.57 -1.17 0.29 116.57 118.31 1nnl h LYS 36 Ca 0.33 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.12 1nnl h LYS 36 Cb -0.02 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1nnl h LYS 36 CO -0.06 -0.06 -0.06 0.97 -0.57 0.00 0.00 179.45 179.67 1nnl h ILE 37 N -0.36 0.39 -0.06 1.86 2.10 -1.23 0.47 117.51 120.67 1nnl h ILE 37 Ca -0.03 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.62 1nnl h ILE 37 Cb 0.28 1.20 0.00 0.00 -1.09 0.00 0.00 36.82 37.22 1nnl h ILE 37 CO 0.04 0.05 0.00 0.00 -1.08 0.00 0.00 178.15 177.17 1nnl n GLY 39 N 1.20 -0.13 0.98 0.00 0.00 0.15 -4.94 105.19 102.45 1nnl n GLY 39 Ca 0.18 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.18 1nnl n GLY 39 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nnl n VAL 40 N -4.24 0.61 -0.34 1.61 0.24 -0.03 -4.85 118.33 111.32 1nnl n VAL 40 Ca -0.02 -1.35 0.02 0.00 -2.04 0.00 0.00 64.34 60.95 1nnl n VAL 40 Cb 0.56 0.54 0.17 0.00 -1.47 0.00 0.00 33.84 33.63 1nnl n VAL 40 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1nnl h GLU 41 N 0.70 1.04 0.96 7.34 5.08 -1.86 -1.56 114.58 126.27 1nnl h GLU 41 Ca -0.11 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 1nnl h GLU 41 Cb 1.53 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 30.56 1nnl h GLU 41 CO 0.05 0.69 -0.46 0.38 -1.00 0.00 0.00 179.01 178.66 1nnl h ASP 42 N 1.07 -1.09 -0.74 1.42 3.04 -1.93 -3.09 116.42 115.09 1nnl h ASP 42 Ca 0.41 0.04 0.13 0.00 -3.24 0.00 0.00 57.03 54.37 1nnl h ASP 42 Cb 0.20 0.28 -0.09 0.00 -1.04 0.00 0.00 39.33 38.68 1nnl h ASP 42 CO -0.18 -0.76 0.30 0.00 -2.04 0.00 0.00 179.24 176.55 1nnl h ALA 43 N -1.31 1.03 -1.06 4.15 0.00 -1.90 -3.33 119.26 116.84 1nnl h ALA 43 Ca -0.13 0.11 -0.45 0.00 0.00 0.00 0.00 54.91 54.44 1nnl h ALA 43 Cb 0.99 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 1nnl h ALA 43 CO 0.22 -0.20 1.11 0.08 0.00 0.00 0.00 179.25 180.46 1nnl s VAL 44 N -6.03 3.59 0.00 0.00 1.01 -0.60 -4.17 120.40 114.20 1nnl s VAL 44 Ca -0.12 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1nnl s VAL 44 Cb 0.20 -4.39 0.00 0.00 0.00 0.00 0.00 36.38 32.19 1nnl s VAL 44 CO 0.76 -1.33 0.00 -1.54 0.00 0.00 0.00 175.10 173.00 1nnl n SER 45 N 11.77 0.00 -3.50 3.32 3.41 -1.25 -4.86 113.62 122.50 1nnl n SER 45 Ca 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1nnl n SER 45 Cb 0.49 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1nnl n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1nnl n GLU 46 N -1.57 1.82 -1.86 4.33 4.71 -1.26 -5.23 120.64 121.58 1nnl n GLU 46 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1nnl n GLU 46 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1nnl n GLU 46 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 1nnl n PRO 57 N 0.00 -0.25 -0.00 3.49 -0.02 -1.26 -5.20 135.00 131.76 1nnl n PRO 57 Ca 0.00 0.23 -0.12 0.00 -2.02 0.00 0.00 63.50 61.60 1nnl n PRO 57 Cb 0.00 -0.48 -0.07 0.00 -0.02 0.00 0.00 33.50 32.93 1nnl n PRO 57 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1nnl h PHE 58 N 4.00 0.08 -0.25 6.00 3.57 -1.91 -2.74 116.94 125.70 1nnl h PHE 58 Ca 0.00 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1nnl h PHE 58 Cb 0.00 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 1nnl h PHE 58 CO 0.00 0.24 0.02 -0.22 -2.23 0.00 0.00 178.31 176.12 1nnl h LYS 59 N -0.10 0.10 -0.91 1.11 3.64 -1.88 -0.61 116.57 117.91 1nnl h LYS 59 Ca 0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1nnl h LYS 59 Cb 0.20 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 1nnl h LYS 59 CO -0.00 0.06 0.54 0.00 -2.27 0.00 0.00 179.45 177.79 1nnl h ALA 60 N 1.20 1.24 -0.47 5.00 0.00 -1.89 -1.30 119.26 123.04 1nnl h ALA 60 Ca 0.12 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1nnl h ALA 60 Cb 0.14 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1nnl h ALA 60 CO -0.18 0.65 -0.10 0.00 0.00 0.00 0.00 179.25 179.61 1nnl h ALA 61 N 1.33 0.64 -0.63 0.00 0.00 -1.13 -2.09 119.26 117.40 1nnl h ALA 61 Ca 0.33 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1nnl h ALA 61 Cb -0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1nnl h ALA 61 CO -0.06 0.54 0.13 1.25 0.00 0.00 0.00 179.25 181.10 1nnl h LEU 62 N 0.74 0.97 -0.56 0.00 5.85 -0.80 -1.67 115.31 119.85 1nnl h LEU 62 Ca 0.12 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1nnl h LEU 62 Cb 0.65 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1nnl h LEU 62 CO 0.04 0.97 0.35 0.74 -0.34 0.00 0.00 178.44 180.20 1nnl h THR 63 N 0.93 1.16 -0.02 1.05 2.02 -1.13 -0.87 112.91 116.06 1nnl h THR 63 Ca 0.19 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 1nnl h THR 63 Cb 0.39 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1nnl h THR 63 CO 0.01 0.16 0.01 -0.08 0.37 0.00 0.00 175.52 175.98 1nnl h GLU 64 N 0.76 0.02 -0.42 6.66 4.81 -1.15 0.66 114.58 125.92 1nnl h GLU 64 Ca 0.20 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1nnl h GLU 64 Cb -0.04 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1nnl h GLU 64 CO -0.04 0.19 0.26 0.00 -0.73 0.00 0.00 179.01 178.69 1nnl h ARG 65 N -0.15 0.57 0.00 1.92 2.47 -1.19 -1.76 114.38 116.23 1nnl h ARG 65 Ca 0.01 -0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 58.62 1nnl h ARG 65 Cb 0.18 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 1nnl h ARG 65 CO -0.00 0.41 -0.29 -0.07 0.56 0.00 0.00 179.97 180.58 1nnl h LEU 66 N 0.56 0.00 -1.36 3.04 3.38 -1.10 -1.18 115.31 118.65 1nnl h LEU 66 Ca 0.15 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1nnl h LEU 66 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1nnl h LEU 66 CO -0.03 0.29 -0.09 0.00 0.09 0.00 0.00 178.44 178.69 1nnl h ALA 67 N 1.71 1.48 0.16 1.53 0.00 0.01 0.30 119.26 124.45 1nnl h ALA 67 Ca -0.00 -0.20 -0.25 0.00 0.00 0.00 0.00 54.91 54.46 1nnl h ALA 67 Cb 0.58 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.29 1nnl h ALA 67 CO 0.04 0.37 -1.16 -0.07 0.00 0.00 0.00 179.25 178.43 1nnl h LEU 68 N 0.30 0.53 -0.16 0.00 3.38 -0.89 -3.37 115.31 115.10 1nnl h LEU 68 Ca 0.06 -0.92 -0.07 0.00 0.09 0.00 0.00 57.88 57.04 1nnl h LEU 68 Cb 0.36 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1nnl h LEU 68 CO 0.02 1.54 -0.18 0.40 0.09 0.00 0.00 178.44 180.31 1nnl h ILE 69 N -0.23 1.35 -6.81 1.22 2.04 -1.06 -3.48 117.51 110.54 1nnl h ILE 69 Ca -0.22 -1.36 -0.57 0.00 1.00 0.00 0.00 64.86 63.72 1nnl h ILE 69 Cb 1.80 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 39.73 1nnl h ILE 69 CO 0.15 0.40 -0.99 0.00 0.00 0.00 0.00 178.15 177.72 1nnl n GLN 70 N -4.51 -0.74 -2.06 2.37 6.02 0.10 -4.85 117.38 113.72 1nnl n GLN 70 Ca -0.06 0.17 -0.42 0.00 -0.01 0.00 0.00 57.00 56.68 1nnl n GLN 70 Cb 0.39 -3.11 -0.03 0.00 1.02 0.00 0.00 30.24 28.51 1nnl n GLN 70 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1nnl s PRO 71 N -7.12 4.28 0.49 -1.09 0.04 -1.26 -4.55 135.00 125.78 1nnl s PRO 71 Ca 0.38 2.22 -0.05 0.00 0.04 0.00 0.00 61.00 63.59 1nnl s PRO 71 Cb -0.19 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 1nnl s PRO 71 CO 0.95 -0.49 0.79 -1.54 0.04 0.00 0.00 177.00 176.75 1nnl s SER 72 N 0.96 6.15 0.33 6.66 1.04 -1.26 -3.48 113.70 124.10 1nnl s SER 72 Ca 0.65 0.85 0.02 0.00 0.48 0.00 0.00 55.95 57.95 1nnl s SER 72 Cb -0.40 -2.13 0.58 0.00 0.10 0.00 0.00 66.02 64.17 1nnl s SER 72 CO 0.33 -0.64 1.97 -0.09 0.98 0.00 0.00 173.24 175.78 1nnl h ARG 73 N 0.20 0.92 -0.66 4.02 2.43 -1.19 -1.57 114.38 118.52 1nnl h ARG 73 Ca -0.47 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.60 1nnl h ARG 73 Cb 1.21 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 1nnl h ARG 73 CO 0.61 0.61 0.25 0.93 -1.51 0.00 0.00 179.97 180.86 1nnl h GLU 74 N 0.95 0.99 -0.38 0.20 5.08 -1.94 -0.33 114.58 119.15 1nnl h GLU 74 Ca 0.30 -0.17 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 1nnl h GLU 74 Cb 0.04 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1nnl h GLU 74 CO -0.09 0.82 -0.31 1.96 -1.00 0.00 0.00 179.01 180.39 1nnl h GLN 75 N 0.96 0.82 -0.38 2.33 4.20 -1.69 0.14 115.11 121.49 1nnl h GLN 75 Ca 0.22 -0.38 -0.07 0.00 0.06 0.00 0.00 58.65 58.48 1nnl h GLN 75 Cb 0.22 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1nnl h GLN 75 CO -0.02 1.01 -0.04 0.28 -0.67 0.00 0.00 178.83 179.40 1nnl h VAL 76 N 0.69 1.27 -0.74 -0.54 2.07 -1.08 -0.68 116.25 117.24 1nnl h VAL 76 Ca 0.08 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1nnl h VAL 76 Cb 0.85 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1nnl h VAL 76 CO 0.07 0.36 0.41 -0.61 0.02 0.00 0.00 177.57 177.82 1nnl h GLN 77 N 0.51 1.03 -0.19 1.57 4.15 -0.85 -1.97 115.11 119.35 1nnl h GLN 77 Ca 0.10 -0.11 -0.16 0.00 0.77 0.00 0.00 58.65 59.25 1nnl h GLN 77 Cb 0.52 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 1nnl h GLN 77 CO 0.03 0.75 -0.55 -0.09 -1.93 0.00 0.00 178.83 177.04 1nnl h ARG 78 N 1.04 0.58 -0.39 1.69 2.43 -0.41 -2.14 114.38 117.17 1nnl h ARG 78 Ca 0.26 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1nnl h ARG 78 Cb 0.02 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1nnl h ARG 78 CO -0.04 0.97 0.19 1.25 -1.51 0.00 0.00 179.97 180.83 1nnl h LEU 79 N 0.44 0.51 -0.89 3.80 5.85 -0.68 0.31 115.31 124.66 1nnl h LEU 79 Ca 0.01 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1nnl h LEU 79 Cb 1.09 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 1nnl h LEU 79 CO 0.10 0.50 0.33 0.40 -0.34 0.00 0.00 178.44 179.43 1nnl h ILE 80 N 0.49 1.25 0.02 4.05 2.04 -1.28 0.88 117.51 124.96 1nnl h ILE 80 Ca 0.13 -0.77 -0.27 0.00 1.00 0.00 0.00 64.86 64.95 1nnl h ILE 80 Cb 0.12 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.47 1nnl h ILE 80 CO -0.02 0.32 -1.49 0.00 0.00 0.00 0.00 178.15 176.96 1nnl h ALA 81 N 1.24 0.57 0.00 1.87 0.00 -1.17 -3.38 119.26 118.40 1nnl h ALA 81 Ca 0.26 -1.26 -0.25 0.00 0.00 0.00 0.00 54.91 53.67 1nnl h ALA 81 Cb 0.18 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1nnl h ALA 81 CO -0.03 1.42 -1.94 0.39 0.00 0.00 0.00 179.25 179.10 1nnl n GLU 82 N -3.20 0.74 -2.91 0.00 1.02 0.11 -4.81 120.64 111.59 1nnl n GLU 82 Ca -0.12 0.07 -0.23 0.00 -0.02 0.00 0.00 57.16 56.86 1nnl n GLU 82 Cb 1.02 -1.33 -0.02 0.00 -0.02 0.00 0.00 31.44 31.08 1nnl n GLU 82 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1nnl n GLN 83 N -2.88 2.43 -2.21 3.49 1.13 0.23 -5.04 117.38 114.54 1nnl n GLN 83 Ca -0.28 -4.23 -0.37 0.00 -1.94 0.00 0.00 57.00 50.18 1nnl n GLN 83 Cb 0.84 -1.99 -0.00 0.00 0.11 0.00 0.00 30.24 29.19 1nnl n GLN 83 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1nnl s PRO 84 N -3.16 3.72 0.86 -1.09 0.04 -0.77 -4.70 135.00 129.90 1nnl s PRO 84 Ca 0.44 1.84 -0.12 0.00 0.04 0.00 0.00 61.00 63.20 1nnl s PRO 84 Cb 0.34 -2.42 0.10 0.00 0.04 0.00 0.00 34.50 32.56 1nnl s PRO 84 CO -0.11 -0.60 1.11 -0.35 0.04 0.00 0.00 177.00 177.09 1nnl n PRO 85 N -0.49 -0.11 -3.80 0.56 -0.04 -1.26 -4.99 135.00 124.86 1nnl n PRO 85 Ca 0.07 0.04 -0.36 0.00 -0.04 0.00 0.00 63.50 63.21 1nnl n PRO 85 Cb 0.47 -2.36 -0.07 0.00 -0.04 0.00 0.00 33.50 31.51 1nnl n PRO 85 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1nnl s HIS 86 N -2.35 3.54 0.24 0.54 3.76 -1.26 -4.99 115.29 114.77 1nnl s HIS 86 Ca 0.69 0.50 -0.30 0.00 -0.15 0.00 0.00 55.06 55.81 1nnl s HIS 86 Cb -0.26 -2.04 -0.09 0.00 1.11 0.00 0.00 32.58 31.30 1nnl s HIS 86 CO 0.55 0.58 1.22 -0.51 -0.85 0.00 0.00 174.74 175.73 1nnl s LEU 87 N -0.55 4.46 0.20 0.89 1.43 -1.26 -0.71 118.68 123.14 1nnl s LEU 87 Ca 0.13 2.37 -0.30 0.00 -1.03 0.00 0.00 54.13 55.30 1nnl s LEU 87 Cb -0.12 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.39 1nnl s LEU 87 CO 0.03 -0.38 1.33 -0.89 0.23 0.00 0.00 176.35 176.66 1nnl s THR 88 N -0.48 3.14 0.10 5.49 2.01 -0.25 -4.74 115.64 120.90 1nnl s THR 88 Ca 0.51 0.93 -0.36 0.00 0.31 0.00 0.00 61.69 63.08 1nnl s THR 88 Cb -0.35 -3.60 -0.16 0.00 0.01 0.00 0.00 72.50 68.40 1nnl s THR 88 CO 0.41 0.14 1.38 -2.65 -0.69 0.00 0.00 174.62 173.21 1nnl n PRO 89 N 2.62 1.32 0.00 4.92 -0.02 -1.26 -1.97 135.00 140.61 1nnl n PRO 89 Ca 0.06 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1nnl n PRO 89 Cb 0.42 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1nnl n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nnl n GLY 90 N 2.66 2.26 0.28 -1.23 0.00 -1.26 -3.98 105.19 103.92 1nnl n GLY 90 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 1nnl n GLY 90 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nnl h ILE 91 N 0.00 1.24 -0.15 -0.61 6.09 -1.76 -1.71 117.51 120.61 1nnl h ILE 91 Ca 0.00 -1.04 0.02 0.00 -1.37 0.00 0.00 64.86 62.47 1nnl h ILE 91 Cb 0.00 0.98 -0.02 0.00 0.47 0.00 0.00 36.82 38.25 1nnl h ILE 91 CO 0.00 0.36 0.02 0.03 -3.07 0.00 0.00 178.15 175.49 1nnl h ARG 92 N 0.66 0.07 -0.54 2.19 3.08 -1.92 -0.70 114.38 117.23 1nnl h ARG 92 Ca 0.12 -0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 1nnl h ARG 92 Cb 0.49 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1nnl h ARG 92 CO 0.03 0.05 -0.04 1.49 -1.07 0.00 0.00 179.97 180.42 1nnl h GLU 93 N 0.08 0.97 -0.03 0.04 4.57 -1.94 -1.27 114.58 116.99 1nnl h GLU 93 Ca 0.07 -0.31 -0.00 0.00 -1.18 0.00 0.00 59.36 57.94 1nnl h GLU 93 Cb 0.07 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1nnl h GLU 93 CO -0.10 0.98 0.01 1.25 -1.18 0.00 0.00 179.01 179.96 1nnl h LEU 94 N 0.88 0.04 -0.72 1.64 5.85 -1.03 -0.25 115.31 121.72 1nnl h LEU 94 Ca 0.15 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1nnl h LEU 94 Cb 0.57 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1nnl h LEU 94 CO 0.03 0.23 0.44 0.58 -0.34 0.00 0.00 178.44 179.38 1nnl h VAL 95 N -0.14 1.20 -0.62 1.05 2.07 -1.08 -1.69 116.25 117.03 1nnl h VAL 95 Ca 0.01 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1nnl h VAL 95 Cb 0.20 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 1nnl h VAL 95 CO -0.00 0.21 0.40 -1.28 0.02 0.00 0.00 177.57 176.92 1nnl h SER 96 N 0.98 0.72 -0.68 0.57 0.87 -1.00 -0.70 113.55 114.31 1nnl h SER 96 Ca 0.26 -0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.73 1nnl h SER 96 Cb -0.05 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.70 1nnl h SER 96 CO -0.05 0.54 0.21 0.03 -0.53 0.00 0.00 176.83 177.03 1nnl h ARG 97 N 0.84 1.08 -0.33 2.24 3.08 -0.67 -0.74 114.38 119.88 1nnl h ARG 97 Ca 0.23 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1nnl h ARG 97 Cb -0.07 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 1nnl h ARG 97 CO -0.05 0.93 0.02 -0.07 -1.07 0.00 0.00 179.97 179.73 1nnl h LEU 98 N 1.04 0.56 -1.22 3.04 3.38 -0.85 -2.49 115.31 118.77 1nnl h LEU 98 Ca 0.23 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1nnl h LEU 98 Cb 0.30 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1nnl h LEU 98 CO -0.01 0.72 0.03 1.56 0.09 0.00 0.00 178.44 180.83 1nnl h GLN 99 N 0.39 0.57 -0.49 1.13 4.20 -0.90 -0.89 115.11 119.11 1nnl h GLN 99 Ca 0.10 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1nnl h GLN 99 Cb 0.42 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1nnl h GLN 99 CO 0.01 0.57 0.19 1.49 -0.67 0.00 0.00 178.83 180.43 1nnl h GLU 100 N 0.55 0.71 -0.19 1.46 4.81 -0.89 0.28 114.58 121.30 1nnl h GLU 100 Ca 0.12 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1nnl h GLU 100 Cb 0.31 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1nnl h GLU 100 CO 0.01 0.59 0.00 0.54 -0.73 0.00 0.00 179.01 179.41 1nnl n ARG 101 N -4.35 1.47 -3.04 1.92 1.74 -0.78 -4.90 116.66 108.73 1nnl n ARG 101 Ca 0.04 -0.73 -0.22 0.00 -0.77 0.00 0.00 57.85 56.17 1nnl n ARG 101 Cb 0.16 -1.18 0.04 0.00 -1.02 0.00 0.00 32.46 30.45 1nnl n ARG 101 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1nnl n ASN 102 N 0.08 -6.05 -4.75 0.55 3.02 0.09 -4.99 115.26 103.20 1nnl n ASN 102 Ca 0.08 -0.30 -0.38 0.00 -0.03 0.00 0.00 54.58 53.95 1nnl n ASN 102 Cb 0.18 -4.86 -0.06 0.00 -0.61 0.00 0.00 39.78 34.44 1nnl n ASN 102 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1nnl s VAL 103 N -3.18 5.09 0.01 2.41 1.01 -0.41 -4.99 120.40 120.34 1nnl s VAL 103 Ca 0.31 1.04 -0.30 0.00 0.00 0.00 0.00 61.98 63.03 1nnl s VAL 103 Cb -0.14 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1nnl s VAL 103 CO 0.39 0.38 1.17 -1.10 0.00 0.00 0.00 175.10 175.93 1nnl s GLN 104 N 0.21 4.42 -0.14 2.72 -1.52 -0.80 -4.17 119.66 120.38 1nnl s GLN 104 Ca 0.28 1.68 -0.02 0.00 -1.95 0.00 0.00 55.36 55.34 1nnl s GLN 104 Cb -0.16 -3.45 -0.02 0.00 -0.22 0.00 0.00 33.01 29.16 1nnl s GLN 104 CO 0.13 -0.30 -0.07 0.08 -0.25 0.00 0.00 175.29 174.88 1nnl s VAL 105 N 1.51 3.62 0.19 1.09 1.01 -1.26 -0.93 120.40 125.62 1nnl s VAL 105 Ca 0.57 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 62.18 1nnl s VAL 105 Cb -0.26 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1nnl s VAL 105 CO 0.26 0.51 -0.19 -0.36 0.00 0.00 0.00 175.10 175.32 1nnl s PHE 106 N 0.28 1.93 -0.11 5.22 0.08 -0.35 -4.84 117.98 120.19 1nnl s PHE 106 Ca -0.05 -0.45 0.03 0.00 0.12 0.00 0.00 56.93 56.58 1nnl s PHE 106 Cb -0.15 -0.94 0.01 0.00 -0.57 0.00 0.00 43.02 41.37 1nnl s PHE 106 CO 0.04 0.40 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.84 1nnl s LEU 107 N -2.83 2.00 -0.06 -0.37 1.43 -0.47 -0.85 118.68 117.53 1nnl s LEU 107 Ca 0.19 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1nnl s LEU 107 Cb -0.05 -1.32 0.00 0.00 0.03 0.00 0.00 46.19 44.85 1nnl s LEU 107 CO 0.08 0.11 -0.17 -0.63 0.23 0.00 0.00 176.35 175.97 1nnl s ILE 108 N 0.58 1.44 -0.01 -0.59 1.01 -0.35 -1.09 121.20 122.19 1nnl s ILE 108 Ca -0.14 -0.70 -0.22 0.00 0.00 0.00 0.00 60.65 59.59 1nnl s ILE 108 Cb -0.17 -1.26 0.05 0.00 0.01 0.00 0.00 42.46 41.09 1nnl s ILE 108 CO 0.04 0.42 0.49 -0.55 0.00 0.00 0.00 174.94 175.34 1nnl s SER 109 N 0.25 -0.41 0.00 3.58 0.15 -0.26 -2.93 113.70 114.08 1nnl s SER 109 Ca -0.09 0.32 0.27 0.00 0.70 0.00 0.00 55.95 57.15 1nnl s SER 109 Cb -0.14 0.44 1.26 0.00 -1.71 0.00 0.00 66.02 65.87 1nnl s SER 109 CO 0.04 -0.57 1.85 0.61 1.20 0.00 0.00 173.24 176.37 1nnl n GLY 110 N 0.92 -0.35 0.00 9.45 0.00 -1.26 -3.77 105.19 110.18 1nnl n GLY 110 Ca -0.20 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1nnl n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nnl n GLY 111 N 1.08 -0.92 3.30 -0.02 0.00 -1.26 -4.57 105.19 102.79 1nnl n GLY 111 Ca 0.19 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 1nnl n GLY 111 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nnl s PHE 112 N 0.00 2.55 0.28 1.61 0.08 -1.26 -0.80 117.98 120.44 1nnl s PHE 112 Ca 0.00 -0.72 0.02 0.00 0.12 0.00 0.00 56.93 56.35 1nnl s PHE 112 Cb 0.00 -1.66 0.69 0.00 -0.57 0.00 0.00 43.02 41.48 1nnl s PHE 112 CO 0.00 -0.22 1.69 -0.09 -0.10 0.00 0.00 175.22 176.50 1nnl h ARG 113 N 6.23 0.34 -0.61 0.44 2.43 -0.94 0.27 114.38 122.53 1nnl h ARG 113 Ca -0.30 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 58.94 1nnl h ARG 113 Cb 1.19 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.60 1nnl h ARG 113 CO 0.49 0.22 0.25 0.66 -1.51 0.00 0.00 179.97 180.08 1nnl h SER 114 N 0.35 0.28 0.08 -3.80 4.64 -1.96 0.38 113.55 113.52 1nnl h SER 114 Ca 0.54 0.07 -0.15 0.00 -0.47 0.00 0.00 61.79 61.78 1nnl h SER 114 Cb 1.03 0.04 0.02 0.00 -0.31 0.00 0.00 62.40 63.17 1nnl h SER 114 CO -0.55 0.17 -0.65 0.40 -0.87 0.00 0.00 176.83 175.33 1nnl h ILE 115 N 0.45 1.52 -0.50 0.95 2.04 -1.47 -3.30 117.51 117.20 1nnl h ILE 115 Ca 0.31 -2.35 -0.06 0.00 1.00 0.00 0.00 64.86 63.75 1nnl h ILE 115 Cb 0.35 3.03 -0.02 0.00 -0.74 0.00 0.00 36.82 39.44 1nnl h ILE 115 CO -0.29 0.66 0.07 0.58 0.00 0.00 0.00 178.15 179.18 1nnl h VAL 116 N -0.36 1.23 0.00 1.67 2.07 -0.32 -2.14 116.25 118.39 1nnl h VAL 116 Ca -0.10 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1nnl h VAL 116 Cb 1.45 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1nnl h VAL 116 CO 0.12 0.32 -0.12 -0.33 0.02 0.00 0.00 177.57 177.58 1nnl h GLU 117 N 0.75 0.00 -0.36 1.57 5.08 -0.36 0.59 114.58 121.85 1nnl h GLU 117 Ca 0.16 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.41 1nnl h GLU 117 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1nnl h GLU 117 CO 0.01 0.12 -0.21 1.25 -1.00 0.00 0.00 179.01 179.19 1nnl h HIS 118 N 0.00 0.91 -0.38 4.33 2.76 -1.47 -1.70 115.15 119.60 1nnl h HIS 118 Ca -0.00 -0.23 -0.06 0.00 -2.20 0.00 0.00 60.37 57.87 1nnl h HIS 118 Cb 0.29 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 1nnl h HIS 118 CO 0.00 0.98 -0.01 0.28 -1.30 0.00 0.00 177.93 177.88 1nnl h VAL 119 N 0.57 1.26 -0.84 5.26 2.07 -1.08 -3.06 116.25 120.44 1nnl h VAL 119 Ca 0.08 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.62 1nnl h VAL 119 Cb 0.76 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1nnl h VAL 119 CO 0.06 0.34 0.53 0.00 0.02 0.00 0.00 177.57 178.52 1nnl h ALA 120 N 0.87 1.12 -0.87 1.67 0.00 -0.81 -2.31 119.26 118.92 1nnl h ALA 120 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1nnl h ALA 120 Cb 0.49 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1nnl h ALA 120 CO 0.02 0.32 0.52 0.66 0.00 0.00 0.00 179.25 180.77 1nnl h SER 121 N 1.00 1.05 0.66 0.00 4.64 -1.22 0.43 113.55 120.12 1nnl h SER 121 Ca 0.35 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1nnl h SER 121 Cb 0.08 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 1nnl h SER 121 CO -0.14 0.81 0.00 0.11 -0.87 0.00 0.00 176.83 176.74 1nnl h LYS 122 N 1.21 0.00 -0.37 4.77 1.57 -1.33 -2.40 116.57 120.01 1nnl h LYS 122 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1nnl h LYS 122 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1nnl h LYS 122 CO -0.06 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.10 1nnl n LEU 123 N -2.94 3.01 -2.41 2.94 4.77 -0.46 -4.97 117.00 116.94 1nnl n LEU 123 Ca -0.00 -1.89 -0.21 0.00 -0.03 0.00 0.00 56.01 53.88 1nnl n LEU 123 Cb 0.22 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 1nnl n LEU 123 CO 0.23 0.74 -0.27 0.59 -1.33 0.00 0.00 177.39 177.36 1nnl n ASN 124 N 0.73 -5.96 -4.61 -1.43 3.02 -0.48 -4.84 115.26 101.69 1nnl n ASN 124 Ca 0.13 -0.02 -0.39 0.00 -0.03 0.00 0.00 54.58 54.27 1nnl n ASN 124 Cb 0.45 -4.96 -0.09 0.00 -0.61 0.00 0.00 39.78 34.57 1nnl n ASN 124 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1nnl s ILE 125 N -3.05 5.22 0.59 2.41 1.01 0.02 -5.02 121.20 122.37 1nnl s ILE 125 Ca 0.00 0.47 -0.20 0.00 0.00 0.00 0.00 60.65 60.92 1nnl s ILE 125 Cb -0.00 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 1nnl s ILE 125 CO 0.01 0.19 1.32 -0.81 0.00 0.00 0.00 174.94 175.65 1nnl n PRO 126 N 5.17 1.44 0.24 2.79 -0.04 -1.26 -4.23 135.00 139.11 1nnl n PRO 126 Ca -0.10 0.54 0.14 0.00 -0.04 0.00 0.00 63.50 64.04 1nnl n PRO 126 Cb 0.51 -2.54 0.82 0.00 -0.04 0.00 0.00 33.50 32.24 1nnl n PRO 126 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nnl h ALA 127 N 1.04 1.77 0.00 0.55 0.00 -1.95 0.73 119.26 121.40 1nnl h ALA 127 Ca -0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1nnl h ALA 127 Cb 1.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1nnl h ALA 127 CO 0.55 -0.13 0.00 1.79 0.00 0.00 0.00 179.25 181.47 1nnl h THR 128 N 0.00 0.00 -0.66 0.00 1.35 -2.01 -2.25 112.91 109.34 1nnl h THR 128 Ca 0.04 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1nnl h THR 128 Cb 0.21 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1nnl h THR 128 CO -0.00 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.86 1nnl n ASN 129 N -2.58 4.45 -4.48 5.36 4.13 0.25 -4.89 115.26 117.50 1nnl n ASN 129 Ca 0.01 -2.31 -0.34 0.00 1.68 0.00 0.00 54.58 53.62 1nnl n ASN 129 Cb 0.21 -0.54 -0.12 0.00 -1.54 0.00 0.00 39.78 37.78 1nnl n ASN 129 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1nnl s VAL 130 N -1.58 3.86 -0.18 2.41 1.01 -0.85 -1.37 120.40 123.71 1nnl s VAL 130 Ca 0.49 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1nnl s VAL 130 Cb 0.30 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 34.01 1nnl s VAL 130 CO 0.27 0.48 -0.09 -0.36 0.00 0.00 0.00 175.10 175.39 1nnl s PHE 131 N 0.54 2.09 0.35 5.22 0.40 -0.25 -4.99 117.98 121.35 1nnl s PHE 131 Ca -0.03 -1.32 -0.15 0.00 -0.60 0.00 0.00 56.93 54.84 1nnl s PHE 131 Cb -0.14 -1.50 0.04 0.00 0.51 0.00 0.00 43.02 41.92 1nnl s PHE 131 CO 0.03 -0.68 0.72 0.00 0.70 0.00 0.00 175.22 175.98 1nnl s ALA 132 N 1.51 -0.59 0.65 5.36 0.00 -1.26 -1.10 121.76 126.32 1nnl s ALA 132 Ca 0.01 -0.79 -0.12 0.00 0.00 0.00 0.00 51.96 51.07 1nnl s ALA 132 Cb -0.15 0.79 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 1nnl s ALA 132 CO -0.08 -0.96 1.04 -0.80 0.00 0.00 0.00 175.76 174.96 1nnl s ASN 133 N -3.06 5.83 -0.14 0.00 0.02 0.02 -4.68 114.94 112.94 1nnl s ASN 133 Ca 0.17 1.54 0.01 0.00 -1.02 0.00 0.00 52.86 53.56 1nnl s ASN 133 Cb -0.04 -2.49 0.02 0.00 0.02 0.00 0.00 41.25 38.76 1nnl s ASN 133 CO 0.12 -1.14 -0.14 -0.13 0.02 0.00 0.00 177.10 175.83 1nnl s ARG 134 N -4.98 2.26 0.41 -0.60 0.52 -1.26 -0.31 118.95 114.99 1nnl s ARG 134 Ca 0.57 -0.55 -0.23 0.00 -0.52 0.00 0.00 55.73 55.00 1nnl s ARG 134 Cb -0.13 -2.03 -0.09 0.00 0.52 0.00 0.00 34.95 33.22 1nnl s ARG 134 CO 0.52 -0.18 1.01 -0.51 0.02 0.00 0.00 175.30 176.15 1nnl s LEU 135 N 1.34 4.05 0.02 2.53 1.43 -1.26 -0.75 118.68 126.04 1nnl s LEU 135 Ca 0.01 1.90 0.04 0.00 -1.03 0.00 0.00 54.13 55.05 1nnl s LEU 135 Cb -0.13 -4.33 -0.03 0.00 0.03 0.00 0.00 46.19 41.72 1nnl s LEU 135 CO -0.08 -0.46 -0.10 -0.54 0.23 0.00 0.00 176.35 175.41 1nnl s LYS 136 N -2.76 2.42 0.04 1.70 1.02 0.60 -4.87 119.74 117.89 1nnl s LYS 136 Ca 0.60 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.81 1nnl s LYS 136 Cb -0.17 -2.42 -0.02 0.00 -0.52 0.00 0.00 37.83 34.70 1nnl s LYS 136 CO 0.22 0.58 -0.08 -0.06 -0.92 0.00 0.00 175.35 175.09 1nnl s PHE 137 N -0.99 0.71 0.88 3.18 0.08 -1.26 -0.23 117.98 120.35 1nnl s PHE 137 Ca 0.17 -0.46 -0.14 0.00 0.12 0.00 0.00 56.93 56.62 1nnl s PHE 137 Cb -0.11 -0.42 0.14 0.00 -0.57 0.00 0.00 43.02 42.06 1nnl s PHE 137 CO 0.07 -0.06 1.24 0.71 -0.10 0.00 0.00 175.22 177.08 1nnl s TYR 138 N -1.26 2.22 0.30 0.36 2.02 0.28 -4.82 117.35 116.46 1nnl s TYR 138 Ca -0.08 0.49 0.04 0.00 -0.37 0.00 0.00 57.07 57.15 1nnl s TYR 138 Cb -0.09 -3.80 0.66 0.00 -0.40 0.00 0.00 41.96 38.33 1nnl s TYR 138 CO 0.01 -2.21 1.82 0.35 -1.57 0.00 0.00 175.55 173.94 1nnl h PHE 139 N -1.33 1.07 -0.03 2.71 3.57 -2.02 0.12 116.94 121.03 1nnl h PHE 139 Ca -0.45 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1nnl h PHE 139 Cb 1.28 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1nnl h PHE 139 CO -0.46 0.35 0.00 0.27 -2.23 0.00 0.00 178.31 176.25 1nnl n ASN 140 N -4.66 0.32 0.00 0.41 0.23 -1.26 -4.89 115.26 105.41 1nnl n ASN 140 Ca 0.20 -1.44 0.00 0.00 -0.53 0.00 0.00 54.58 52.81 1nnl n ASN 140 Cb 0.46 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 1nnl n ASN 140 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nnl n GLY 141 N 0.87 0.88 3.77 4.83 0.00 0.42 -4.94 105.19 111.01 1nnl n GLY 141 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1nnl n GLY 141 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nnl s GLU 142 N -0.62 3.44 0.17 1.61 2.02 -1.26 -0.61 118.70 123.45 1nnl s GLU 142 Ca 0.00 1.78 -0.34 0.00 0.02 0.00 0.00 54.97 56.44 1nnl s GLU 142 Cb 0.00 -2.19 -0.14 0.00 0.10 0.00 0.00 34.13 31.90 1nnl s GLU 142 CO 0.00 -0.82 1.53 0.98 0.02 0.00 0.00 175.26 176.97 1nnl n TYR 143 N -0.97 2.20 -0.67 1.61 9.36 -1.23 -0.55 117.16 126.91 1nnl n TYR 143 Ca 0.10 0.32 0.02 0.00 3.32 0.00 0.00 57.90 61.66 1nnl n TYR 143 Cb 0.49 -2.51 0.03 0.00 -0.63 0.00 0.00 39.34 36.71 1nnl n TYR 143 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1nnl n ALA 144 N 3.09 1.79 0.00 2.98 0.00 0.68 -4.74 120.51 124.32 1nnl n ALA 144 Ca 0.16 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1nnl n ALA 144 Cb 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1nnl n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nnl n GLY 145 N -0.49 -0.16 3.32 0.00 0.00 -1.22 -4.79 105.19 101.84 1nnl n GLY 145 Ca 0.03 -2.07 -0.10 0.00 0.00 0.00 0.00 46.02 43.88 1nnl n GLY 145 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1nnl s PHE 146 N 0.00 -0.15 -0.64 1.61 -0.12 -1.26 -0.29 117.98 117.13 1nnl s PHE 146 Ca 0.00 -0.18 -0.26 0.00 -0.05 0.00 0.00 56.93 56.43 1nnl s PHE 146 Cb 0.00 0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.59 1nnl s PHE 146 CO 0.00 -0.70 1.88 0.34 -0.05 0.00 0.00 175.22 176.69 1nnl s ASP 147 N -2.82 5.23 0.00 1.98 2.15 0.07 -4.83 116.67 118.45 1nnl s ASP 147 Ca 0.04 0.24 0.24 0.00 0.43 0.00 0.00 52.55 53.50 1nnl s ASP 147 Cb 0.02 -2.53 1.35 0.00 -0.30 0.00 0.00 42.92 41.46 1nnl s ASP 147 CO -0.11 -2.43 1.79 -0.62 -0.17 0.00 0.00 175.17 173.62 1nnl n GLU 148 N 9.15 0.62 0.00 4.34 1.02 -1.26 -2.88 120.64 131.63 1nnl n GLU 148 Ca 0.23 0.02 0.13 0.00 -0.02 0.00 0.00 57.16 57.52 1nnl n GLU 148 Cb 0.52 -1.50 0.35 0.00 -0.02 0.00 0.00 31.44 30.79 1nnl n GLU 148 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1nnl n THR 149 N -1.09 0.00 -2.50 2.62 -2.24 -1.26 -4.89 114.28 104.93 1nnl n THR 149 Ca 0.16 -0.10 -0.40 0.00 -2.27 0.00 0.00 64.05 61.45 1nnl n THR 149 Cb 0.11 0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 68.66 1nnl n THR 149 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1nnl s GLN 150 N -2.62 4.57 0.43 -0.78 -1.52 -1.14 -4.94 119.66 113.66 1nnl s GLN 150 Ca 0.21 1.74 0.11 0.00 -1.95 0.00 0.00 55.36 55.47 1nnl s GLN 150 Cb 0.19 -3.09 0.94 0.00 -0.22 0.00 0.00 33.01 30.83 1nnl s GLN 150 CO 0.56 0.17 2.02 -1.00 -0.25 0.00 0.00 175.29 176.79 1nnl h PRO 151 N 3.61 0.26 0.00 2.91 0.13 -1.92 -0.95 132.00 136.04 1nnl h PRO 151 Ca -0.47 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1nnl h PRO 151 Cb 1.21 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1nnl h PRO 151 CO 0.66 0.27 0.00 0.25 -0.23 0.00 0.00 178.00 178.95 1nnl n THR 152 N -4.41 0.00 0.94 1.56 -2.24 -1.26 -2.84 114.28 106.03 1nnl n THR 152 Ca -0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.89 1nnl n THR 152 Cb 0.16 -0.38 0.19 0.00 -2.10 0.00 0.00 70.33 68.20 1nnl n THR 152 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nnl n ALA 153 N -0.82 3.63 -2.50 6.98 0.00 -0.36 -4.65 120.51 122.79 1nnl n ALA 153 Ca 0.13 -0.37 -0.24 0.00 0.00 0.00 0.00 53.44 52.95 1nnl n ALA 153 Cb 0.06 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.34 1nnl n ALA 153 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nnl s GLU 154 N -3.02 1.83 0.41 0.00 2.02 -1.13 -3.58 118.70 115.22 1nnl s GLU 154 Ca 0.10 -2.08 -0.27 0.00 0.02 0.00 0.00 54.97 52.74 1nnl s GLU 154 Cb 0.17 -0.78 -0.09 0.00 0.10 0.00 0.00 34.13 33.52 1nnl s GLU 154 CO 0.73 -0.35 1.42 -1.54 0.02 0.00 0.00 175.26 175.54 1nnl s SER 155 N -3.57 6.18 -0.55 -0.19 1.04 -1.26 -2.69 113.70 112.65 1nnl s SER 155 Ca 0.28 2.90 0.00 0.00 0.48 0.00 0.00 55.95 59.61 1nnl s SER 155 Cb 0.05 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1nnl s SER 155 CO 0.14 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1nnl n GLY 156 N 0.57 0.44 0.22 7.32 0.00 -1.26 -4.95 105.19 107.53 1nnl n GLY 156 Ca 0.03 -0.71 -0.07 0.00 0.00 0.00 0.00 46.02 45.27 1nnl n GLY 156 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nnl h GLY 157 N 0.00 0.76 0.27 -0.02 0.00 -1.63 -2.26 103.07 100.19 1nnl h GLY 157 Ca -0.13 -0.30 0.06 0.00 0.00 0.00 0.00 47.33 46.97 1nnl h GLY 157 CO 0.17 0.29 -0.14 0.50 0.00 0.00 0.00 176.54 177.36 1nnl h LYS 158 N 0.72 -0.09 -0.42 4.80 1.79 -1.86 -1.57 116.57 119.94 1nnl h LYS 158 Ca 0.19 0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.59 1nnl h LYS 158 Cb -0.05 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 1nnl h LYS 158 CO -0.04 -0.06 -0.07 0.78 -1.08 0.00 0.00 179.45 178.98 1nnl h GLY 159 N -0.10 0.77 1.05 3.86 0.00 -1.79 -2.76 103.07 104.10 1nnl h GLY 159 Ca 0.15 -0.55 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 1nnl h GLY 159 CO -0.35 0.50 0.06 0.50 0.00 0.00 0.00 176.54 177.25 1nnl h LYS 160 N 0.66 1.01 -0.51 4.80 1.57 -0.89 -0.42 116.57 122.79 1nnl h LYS 160 Ca 0.12 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1nnl h LYS 160 Cb 0.51 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1nnl h LYS 160 CO 0.03 0.97 0.23 0.28 -0.57 0.00 0.00 179.45 180.39 1nnl h VAL 161 N 0.91 1.20 -0.34 0.50 2.07 -1.21 -1.89 116.25 117.49 1nnl h VAL 161 Ca 0.18 -0.59 -0.10 0.00 0.82 0.00 0.00 66.70 67.01 1nnl h VAL 161 Cb 0.47 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1nnl h VAL 161 CO 0.02 0.23 -0.21 0.40 0.02 0.00 0.00 177.57 178.03 1nnl h ILE 162 N 0.68 1.27 -0.80 4.57 2.04 -1.30 0.11 117.51 124.09 1nnl h ILE 162 Ca 0.17 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.77 1nnl h ILE 162 Cb 0.14 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1nnl h ILE 162 CO -0.02 0.42 0.51 0.50 0.00 0.00 0.00 178.15 179.55 1nnl h LYS 163 N 0.57 1.07 -0.59 2.37 3.64 -0.80 0.50 116.57 123.32 1nnl h LYS 163 Ca 0.08 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 1nnl h LYS 163 Cb 0.67 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1nnl h LYS 163 CO 0.05 0.73 0.03 -0.07 -2.27 0.00 0.00 179.45 177.91 1nnl h LEU 164 N 1.09 1.00 -0.49 5.20 3.38 -0.71 -1.44 115.31 123.33 1nnl h LEU 164 Ca 0.29 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1nnl h LEU 164 Cb -0.09 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 1nnl h LEU 164 CO -0.06 1.05 0.11 -0.07 0.09 0.00 0.00 178.44 179.55 1nnl h LEU 165 N 0.92 0.76 -0.73 1.67 3.38 -0.38 -1.35 115.31 119.57 1nnl h LEU 165 Ca 0.17 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1nnl h LEU 165 Cb 0.52 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1nnl h LEU 165 CO 0.02 0.81 0.27 0.11 0.09 0.00 0.00 178.44 179.74 1nnl h LYS 166 N 0.68 1.12 -0.30 1.13 1.57 -0.79 0.12 116.57 120.09 1nnl h LYS 166 Ca 0.15 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 1nnl h LYS 166 Cb 0.35 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1nnl h LYS 166 CO 0.00 0.93 -0.26 0.93 -0.57 0.00 0.00 179.45 180.49 1nnl h GLU 167 N 1.07 0.60 0.00 3.15 5.08 -1.05 -0.42 114.58 123.01 1nnl h GLU 167 Ca 0.24 -0.24 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1nnl h GLU 167 Cb 0.25 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1nnl h GLU 167 CO -0.01 0.80 -0.65 -0.22 -1.00 0.00 0.00 179.01 177.93 1nnl h LYS 168 N 0.52 0.00 0.00 2.33 3.64 -1.06 -3.39 116.57 118.61 1nnl h LYS 168 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1nnl h LYS 168 Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1nnl h LYS 168 CO 0.06 0.97 -0.68 1.19 -2.27 0.00 0.00 179.45 178.72 1nnl n PHE 169 N -4.52 0.25 -2.85 1.91 3.72 0.39 -4.97 117.46 111.38 1nnl n PHE 169 Ca -0.21 0.07 -0.21 0.00 -0.05 0.00 0.00 57.45 57.05 1nnl n PHE 169 Cb 0.57 -0.42 0.03 0.00 -0.94 0.00 0.00 39.48 38.71 1nnl n PHE 169 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1nnl n HIS 170 N -1.81 -1.66 -1.78 1.38 8.25 -0.17 -4.94 115.22 114.50 1nnl n HIS 170 Ca 0.04 0.39 -0.41 0.00 -0.26 0.00 0.00 57.72 57.48 1nnl n HIS 170 Cb 0.39 -4.20 -0.00 0.00 1.12 0.00 0.00 29.99 27.30 1nnl n HIS 170 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1nnl s PHE 171 N -3.11 2.57 -0.07 4.41 0.08 -1.26 -4.93 117.98 115.68 1nnl s PHE 171 Ca 0.23 1.11 0.21 0.00 0.12 0.00 0.00 56.93 58.59 1nnl s PHE 171 Cb -0.10 -4.05 -0.31 0.00 -0.57 0.00 0.00 43.02 37.98 1nnl s PHE 171 CO 0.28 -3.14 0.42 1.63 -0.10 0.00 0.00 175.22 174.31 1nnl n LYS 172 N 0.63 0.66 -3.33 0.44 4.76 -1.26 -4.78 118.16 115.28 1nnl n LYS 172 Ca 0.02 -0.15 -0.21 0.00 -2.87 0.00 0.00 58.31 55.10 1nnl n LYS 172 Cb 0.39 -1.53 -0.08 0.00 -1.84 0.00 0.00 35.03 31.96 1nnl n LYS 172 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1nnl s LYS 173 N -3.32 0.74 -0.19 1.97 2.20 -1.26 -4.95 119.74 114.93 1nnl s LYS 173 Ca -0.08 -1.35 -0.12 0.00 -0.36 0.00 0.00 55.97 54.06 1nnl s LYS 173 Cb 0.12 -0.97 -0.05 0.00 -1.51 0.00 0.00 37.83 35.42 1nnl s LYS 173 CO 0.89 -1.27 0.22 0.42 -0.36 0.00 0.00 175.35 175.25 1nnl s ILE 174 N 0.89 5.35 -0.13 5.43 1.01 -1.26 -1.82 121.20 130.67 1nnl s ILE 174 Ca 0.23 0.36 -0.03 0.00 0.00 0.00 0.00 60.65 61.21 1nnl s ILE 174 Cb -0.10 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 1nnl s ILE 174 CO -0.07 0.39 -0.03 -0.63 0.00 0.00 0.00 174.94 174.60 1nnl s ILE 175 N 0.61 4.01 -0.17 2.92 1.01 -0.17 -0.62 121.20 128.79 1nnl s ILE 175 Ca 0.12 -0.33 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 1nnl s ILE 175 Cb -0.12 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 1nnl s ILE 175 CO 0.02 0.53 0.01 -0.32 0.00 0.00 0.00 174.94 175.18 1nnl s MET 176 N -0.05 3.82 -0.13 2.79 -2.45 -0.21 -0.17 119.30 122.89 1nnl s MET 176 Ca 0.02 -0.43 0.01 0.00 -1.25 0.00 0.00 55.69 54.04 1nnl s MET 176 Cb -0.13 -3.06 0.02 0.00 1.25 0.00 0.00 34.83 32.90 1nnl s MET 176 CO 0.02 0.27 -0.14 0.42 1.05 0.00 0.00 175.02 176.64 1nnl s ILE 177 N 0.33 1.49 0.09 10.11 1.01 -0.07 -1.12 121.20 133.04 1nnl s ILE 177 Ca -0.00 -0.61 -0.27 0.00 0.00 0.00 0.00 60.65 59.77 1nnl s ILE 177 Cb -0.13 -1.39 0.09 0.00 0.01 0.00 0.00 42.46 41.04 1nnl s ILE 177 CO 0.01 0.44 1.09 -0.83 0.00 0.00 0.00 174.94 175.66 1nnl s GLY 178 N 1.26 -0.28 0.12 6.18 0.00 -1.05 -1.02 107.32 112.53 1nnl s GLY 178 Ca -0.01 0.31 0.23 0.00 0.00 0.00 0.00 44.72 45.25 1nnl s GLY 178 CO -0.06 0.26 0.93 2.09 0.00 0.00 0.00 173.10 176.31 1nnl n ASP 179 N -0.53 0.62 -4.92 1.64 5.75 -1.25 -0.85 116.55 117.01 1nnl n ASP 179 Ca -0.07 0.16 -0.25 0.00 -0.01 0.00 0.00 54.79 54.62 1nnl n ASP 179 Cb 0.61 0.83 0.00 0.00 -1.03 0.00 0.00 41.12 41.54 1nnl n ASP 179 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1nnl s GLY 180 N -4.25 2.27 0.48 6.12 0.00 -1.26 -4.55 107.32 106.13 1nnl s GLY 180 Ca -0.01 -1.41 0.25 0.00 0.00 0.00 0.00 44.72 43.54 1nnl s GLY 180 CO 0.82 -1.90 1.97 0.00 0.00 0.00 0.00 173.10 173.99 1nnl h ALA 181 N 0.68 1.20 0.00 3.20 0.00 -1.98 -1.38 119.26 120.99 1nnl h ALA 181 Ca -0.36 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 1nnl h ALA 181 Cb 1.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1nnl h ALA 181 CO 0.55 0.23 -0.55 1.79 0.00 0.00 0.00 179.25 181.27 1nnl h THR 182 N 0.00 1.05 0.10 0.00 1.35 -1.98 -2.51 112.91 110.92 1nnl h THR 182 Ca -0.00 -2.17 -0.00 0.00 -0.55 0.00 0.00 66.41 63.69 1nnl h THR 182 Cb 0.50 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 1nnl h THR 182 CO 0.02 0.54 -0.05 0.44 -0.25 0.00 0.00 175.52 176.22 1nnl h ASP 183 N 0.00 -0.11 -0.97 5.36 3.32 -1.76 -3.07 116.42 119.19 1nnl h ASP 183 Ca -0.01 -0.23 0.24 0.00 0.02 0.00 0.00 57.03 57.05 1nnl h ASP 183 Cb 1.26 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 40.76 1nnl h ASP 183 CO 0.07 0.47 0.64 -0.03 -1.72 0.00 0.00 179.24 178.67 1nnl h MET 184 N -1.00 0.34 0.00 3.56 4.05 -1.37 0.27 114.93 120.78 1nnl h MET 184 Ca -0.01 -0.02 -0.12 0.00 -0.28 0.00 0.00 59.70 59.27 1nnl h MET 184 Cb 0.34 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 1nnl h MET 184 CO 0.02 0.23 -0.56 0.93 0.23 0.00 0.00 176.91 177.76 1nnl h GLU 185 N 0.35 0.00 -0.01 0.39 3.07 -1.52 -3.12 114.58 113.74 1nnl h GLU 185 Ca 0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 1nnl h GLU 185 Cb 1.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.30 1nnl h GLU 185 CO -0.20 0.56 0.00 0.00 -1.40 0.00 0.00 179.01 177.97 1nnl n ALA 186 N -2.39 1.80 -3.96 3.43 0.00 0.08 -4.06 120.51 115.41 1nnl n ALA 186 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.12 1nnl n ALA 186 Cb 0.59 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.89 1nnl n ALA 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nnl s PRO 188 N 0.83 1.24 0.51 0.00 0.04 -1.26 -4.88 135.00 131.49 1nnl s PRO 188 Ca 0.12 0.05 0.34 0.00 0.04 0.00 0.00 61.00 61.56 1nnl s PRO 188 Cb -0.20 -1.87 1.75 0.00 0.04 0.00 0.00 34.50 34.22 1nnl s PRO 188 CO -0.09 -2.08 2.04 -1.00 0.04 0.00 0.00 177.00 175.91 1nnl h PRO 189 N -1.41 0.00 -6.99 0.56 0.13 -1.72 -3.48 132.00 119.09 1nnl h PRO 189 Ca -0.47 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.10 1nnl h PRO 189 Cb 1.31 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.59 1nnl h PRO 189 CO 0.57 0.00 0.47 0.00 -0.23 0.00 0.00 178.00 178.81 1nnl n ALA 190 N -1.97 1.15 0.10 -0.56 0.00 0.25 -4.93 120.51 114.56 1nnl n ALA 190 Ca -0.01 0.08 -0.00 0.00 0.00 0.00 0.00 53.44 53.51 1nnl n ALA 190 Cb 0.12 -2.29 -0.03 0.00 0.00 0.00 0.00 19.45 17.26 1nnl n ALA 190 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1nnl h ASP 191 N 1.06 0.00 -5.05 0.00 5.19 -1.20 -3.42 116.42 113.01 1nnl h ASP 191 Ca -0.50 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 55.80 1nnl h ASP 191 Cb 1.33 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.66 1nnl h ASP 191 CO 0.55 0.63 -0.32 0.00 -3.12 0.00 0.00 179.24 176.98 1nnl s ALA 192 N -2.89 -0.54 -0.02 3.45 0.00 -1.02 -4.98 121.76 115.76 1nnl s ALA 192 Ca 0.02 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 51.91 1nnl s ALA 192 Cb 0.08 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.47 1nnl s ALA 192 CO 0.77 -0.37 -0.09 0.12 0.00 0.00 0.00 175.76 176.20 1nnl s PHE 193 N -2.39 0.89 -0.19 0.00 5.36 -1.26 -1.05 117.98 119.35 1nnl s PHE 193 Ca -0.06 -0.21 -0.00 0.00 -0.96 0.00 0.00 56.93 55.69 1nnl s PHE 193 Cb -0.02 -0.63 0.05 0.00 -0.34 0.00 0.00 43.02 42.08 1nnl s PHE 193 CO -0.03 -0.08 -0.05 0.42 -1.46 0.00 0.00 175.22 174.02 1nnl s ILE 194 N 0.12 1.23 0.40 3.12 1.01 -0.28 -4.36 121.20 122.45 1nnl s ILE 194 Ca -0.02 -0.81 -0.24 0.00 0.00 0.00 0.00 60.65 59.58 1nnl s ILE 194 Cb -0.07 -1.44 -0.09 0.00 0.01 0.00 0.00 42.46 40.87 1nnl s ILE 194 CO 0.00 0.06 1.06 -0.83 0.00 0.00 0.00 174.94 175.23 1nnl s GLY 195 N 1.57 2.76 -0.15 6.18 0.00 -0.07 -2.52 107.32 115.07 1nnl s GLY 195 Ca -0.01 0.73 0.00 0.00 0.00 0.00 0.00 44.72 45.44 1nnl s GLY 195 CO -0.07 1.17 -0.10 -0.12 0.00 0.00 0.00 173.10 173.97 1nnl s PHE 196 N -1.62 2.00 -0.26 1.90 5.36 -0.02 -0.88 117.98 124.45 1nnl s PHE 196 Ca 0.57 -1.18 0.09 0.00 -0.96 0.00 0.00 56.93 55.46 1nnl s PHE 196 Cb -0.23 -1.48 0.45 0.00 -0.34 0.00 0.00 43.02 41.42 1nnl s PHE 196 CO 0.29 -0.64 1.30 0.41 -1.46 0.00 0.00 175.22 175.11 1nnl n GLY 197 N 4.81 5.37 0.24 13.12 0.00 0.15 -3.82 105.19 125.05 1nnl n GLY 197 Ca -0.15 -1.59 0.13 0.00 0.00 0.00 0.00 46.02 44.40 1nnl n GLY 197 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nnl h GLY 198 N 1.27 0.00 0.00 -0.02 0.00 -1.76 -3.37 103.07 99.19 1nnl h GLY 198 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1nnl h GLY 198 CO 0.30 0.00 -0.95 0.70 0.00 0.00 0.00 176.54 176.59 1nnl n ASN 199 N -3.29 3.82 -3.83 0.19 3.02 -1.26 -5.03 115.26 108.88 1nnl n ASN 199 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.34 1nnl n ASN 199 Cb 0.39 0.01 -0.17 0.00 -0.61 0.00 0.00 39.78 39.40 1nnl n ASN 199 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1nnl s VAL 200 N -1.95 0.45 -0.27 2.41 1.01 -1.26 -5.12 120.40 115.67 1nnl s VAL 200 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.91 1nnl s VAL 200 Cb 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 1nnl s VAL 200 CO 0.00 0.24 0.09 -0.63 0.00 0.00 0.00 175.10 174.80 1nnl s ILE 201 N 1.44 4.30 -0.31 2.22 1.01 -1.26 -4.21 121.20 124.38 1nnl s ILE 201 Ca -0.03 -0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.22 1nnl s ILE 201 Cb -0.13 -3.10 0.03 0.00 0.01 0.00 0.00 42.46 39.27 1nnl s ILE 201 CO -0.03 0.22 0.08 -0.13 0.00 0.00 0.00 174.94 175.09 1nnl s ARG 202 N 1.59 2.84 0.49 2.79 0.52 -1.26 -4.97 118.95 120.95 1nnl s ARG 202 Ca 0.05 -1.03 0.21 0.00 -0.52 0.00 0.00 55.73 54.44 1nnl s ARG 202 Cb -0.16 -3.39 1.25 0.00 0.52 0.00 0.00 34.95 33.17 1nnl s ARG 202 CO 0.04 -0.55 1.97 1.96 0.02 0.00 0.00 175.30 178.74 1nnl h GLN 203 N 8.21 0.17 -0.75 3.54 1.08 -1.97 0.70 115.11 126.09 1nnl h GLN 203 Ca -0.27 -0.01 0.12 0.00 -1.45 0.00 0.00 58.65 57.04 1nnl h GLN 203 Cb 1.10 -0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 28.41 1nnl h GLN 203 CO 0.60 0.11 0.35 0.37 -0.95 0.00 0.00 178.83 179.31 1nnl h GLN 204 N 0.18 0.53 0.01 1.46 5.75 -1.98 0.24 115.11 121.29 1nnl h GLN 204 Ca 0.29 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.67 1nnl h GLN 204 Cb 0.91 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.34 1nnl h GLN 204 CO -0.05 0.35 -0.49 0.28 -2.65 0.00 0.00 178.83 176.27 1nnl h VAL 205 N 0.54 1.48 -0.73 2.39 2.07 -1.29 -3.30 116.25 117.41 1nnl h VAL 205 Ca 0.39 -2.31 0.04 0.00 0.82 0.00 0.00 66.70 65.65 1nnl h VAL 205 Cb 0.52 2.99 -0.04 0.00 -1.52 0.00 0.00 31.29 33.24 1nnl h VAL 205 CO -0.34 0.53 0.48 0.50 0.02 0.00 0.00 177.57 178.76 1nnl h LYS 206 N -0.94 0.82 0.00 1.57 3.64 -0.88 -0.04 116.57 120.74 1nnl h LYS 206 Ca -0.13 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1nnl h LYS 206 Cb 1.16 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1nnl h LYS 206 CO -0.06 0.54 0.00 -0.44 -2.27 0.00 0.00 179.45 177.22 1nnl h ASP 207 N 0.84 0.00 0.00 4.20 3.45 -0.68 -3.37 116.42 120.86 1nnl h ASP 207 Ca 0.30 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.76 1nnl h ASP 207 Cb 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 1nnl h ASP 207 CO -0.09 0.00 -0.50 0.59 -1.57 0.00 0.00 179.24 177.67 1nnl n ASN 208 N -2.93 2.50 -4.76 6.45 3.02 -0.81 -5.02 115.26 113.70 1nnl n ASN 208 Ca 0.03 -0.23 -0.39 0.00 -0.03 0.00 0.00 54.58 53.96 1nnl n ASN 208 Cb 0.41 0.95 -0.05 0.00 -0.61 0.00 0.00 39.78 40.47 1nnl n ASN 208 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nnl s ALA 209 N -1.45 3.44 0.19 5.41 0.00 -0.09 -4.96 121.76 124.29 1nnl s ALA 209 Ca 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 51.96 52.02 1nnl s ALA 209 Cb 0.00 -2.85 0.08 0.00 0.00 0.00 0.00 23.12 20.35 1nnl s ALA 209 CO 0.00 0.14 1.65 -0.22 0.00 0.00 0.00 175.76 177.33 1nnl h LYS 210 N 5.51 1.08 -5.01 0.00 3.64 -1.89 -3.41 116.57 116.49 1nnl h LYS 210 Ca -0.45 -0.34 -0.65 0.00 -1.27 0.00 0.00 60.65 57.94 1nnl h LYS 210 Cb 1.20 -0.10 -0.24 0.00 -0.41 0.00 0.00 32.23 32.68 1nnl h LYS 210 CO 0.70 1.04 -0.66 -1.58 -2.27 0.00 0.00 179.45 176.68 1nnl s TRP 211 N -5.04 3.04 -0.13 1.91 0.52 -1.26 -5.07 118.94 112.90 1nnl s TRP 211 Ca -0.12 -0.55 -0.07 0.00 0.02 0.00 0.00 56.10 55.38 1nnl s TRP 211 Cb 0.14 -2.17 0.05 0.00 -1.15 0.00 0.00 33.47 30.34 1nnl s TRP 211 CO 0.86 -0.37 0.32 -0.47 0.02 0.00 0.00 176.95 177.30 1nnl s TYR 212 N 1.42 -0.44 0.18 -1.98 5.04 -1.26 -0.89 117.35 119.41 1nnl s TYR 212 Ca 0.05 1.00 0.03 0.00 -2.44 0.00 0.00 57.07 55.71 1nnl s TYR 212 Cb -0.15 0.14 -0.05 0.00 0.35 0.00 0.00 41.96 42.26 1nnl s TYR 212 CO 0.01 -0.28 -0.04 0.96 -1.34 0.00 0.00 175.55 174.87 1nnl s ILE 213 N 1.29 0.96 0.00 3.14 -4.36 -0.06 -4.94 121.20 117.23 1nnl s ILE 213 Ca -0.09 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.28 1nnl s ILE 213 Cb -0.09 -2.07 0.00 0.00 1.25 0.00 0.00 42.46 41.54 1nnl s ILE 213 CO -0.10 -0.54 0.62 0.35 0.24 0.00 0.00 174.94 175.50 1nnl n THR 214 N -0.27 0.38 -3.62 8.37 -2.24 -1.26 -0.67 114.28 114.96 1nnl n THR 214 Ca -0.08 -0.52 -0.08 0.00 -2.27 0.00 0.00 64.05 61.10 1nnl n THR 214 Cb 0.62 0.96 -0.09 0.00 -2.10 0.00 0.00 70.33 69.72 1nnl n THR 214 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nnl s ASP 215 N -0.38 -0.25 0.21 3.42 -1.08 -1.26 -3.58 116.67 113.75 1nnl s ASP 215 Ca 0.00 0.94 -0.03 0.00 -0.52 0.00 0.00 52.55 52.94 1nnl s ASP 215 Cb 0.00 1.37 0.16 0.00 -1.46 0.00 0.00 42.92 42.99 1nnl s ASP 215 CO 0.00 -0.24 1.56 -0.26 0.52 0.00 0.00 175.17 176.75 1nnl h PHE 216 N 8.17 0.74 -0.12 -5.34 0.05 -1.93 -2.17 116.94 116.34 1nnl h PHE 216 Ca -0.16 -0.22 -0.03 0.00 3.82 0.00 0.00 57.97 61.38 1nnl h PHE 216 Cb 1.11 -0.16 -0.01 0.00 2.00 0.00 0.00 35.95 38.90 1nnl h PHE 216 CO 0.26 0.94 -0.05 0.28 -0.18 0.00 0.00 178.31 179.56 1nnl h VAL 217 N 0.50 1.11 0.07 -0.55 2.07 -1.85 -0.23 116.25 117.37 1nnl h VAL 217 Ca 0.04 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1nnl h VAL 217 Cb 0.95 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1nnl h VAL 217 CO 0.09 0.15 -0.03 -0.08 0.02 0.00 0.00 177.57 177.71 1nnl h GLU 218 N 0.17 -0.09 -0.81 1.57 4.57 -1.87 -2.95 114.58 115.18 1nnl h GLU 218 Ca 0.04 0.01 0.17 0.00 -1.18 0.00 0.00 59.36 58.40 1nnl h GLU 218 Cb 0.20 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.76 1nnl h GLU 218 CO 0.01 0.38 0.54 1.25 -1.18 0.00 0.00 179.01 180.00 1nnl h LEU 219 N -0.59 0.39 -1.28 1.64 5.85 -0.75 0.18 115.31 120.75 1nnl h LEU 219 Ca -0.01 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1nnl h LEU 219 Cb 0.50 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1nnl h LEU 219 CO 0.01 0.18 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.87 1nnl h LEU 220 N 0.40 0.00 0.00 2.25 3.38 -0.94 -3.48 115.31 116.92 1nnl h LEU 220 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1nnl h LEU 220 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1nnl h LEU 220 CO -0.13 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.36