#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dk4 s LYS 2 N 0.00 4.61 0.31 3.17 1.02 -1.26 -4.85 119.74 122.75 1dk4 s LYS 2 Ca 0.00 1.83 0.08 0.00 0.02 0.00 0.00 55.97 57.90 1dk4 s LYS 2 Cb 0.00 -3.19 0.88 0.00 -0.52 0.00 0.00 37.83 35.00 1dk4 s LYS 2 CO 0.00 0.17 1.67 -1.49 -0.92 0.00 0.00 175.35 174.78 1dk4 h TRP 3 N 3.94 0.72 0.00 3.18 4.06 -2.04 0.23 115.95 126.04 1dk4 h TRP 3 Ca -0.47 0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.53 1dk4 h TRP 3 Cb 1.21 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 29.21 1dk4 h TRP 3 CO 0.59 -0.13 0.00 -3.47 -3.56 0.00 0.00 178.44 171.87 1dk4 n ASP 4 N -5.08 0.00 0.30 -3.49 4.64 -1.26 -0.81 116.55 110.85 1dk4 n ASP 4 Ca 0.26 0.86 0.18 0.00 -1.38 0.00 0.00 54.79 54.71 1dk4 n ASP 4 Cb 0.80 -0.36 1.02 0.00 -1.04 0.00 0.00 41.12 41.54 1dk4 n ASP 4 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 1dk4 h GLU 5 N 0.00 0.00 -0.01 -0.67 5.08 -1.11 -0.72 114.58 117.16 1dk4 h GLU 5 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1dk4 h GLU 5 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1dk4 h GLU 5 CO 0.00 0.00 -0.74 0.82 -1.00 0.00 0.00 179.01 178.09 1dk4 h ILE 6 N 0.00 1.50 0.09 3.13 2.04 0.65 -2.94 117.51 121.98 1dk4 h ILE 6 Ca 0.01 -2.46 -0.14 0.00 1.00 0.00 0.00 64.86 63.27 1dk4 h ILE 6 Cb 0.10 2.33 0.02 0.00 -0.74 0.00 0.00 36.82 38.53 1dk4 h ILE 6 CO -0.00 0.71 -0.61 1.23 0.00 0.00 0.00 178.15 179.48 1dk4 h GLY 7 N 2.03 0.29 1.60 5.37 0.00 0.52 -3.09 103.07 109.79 1dk4 h GLY 7 Ca -0.01 -0.68 0.02 0.00 0.00 0.00 0.00 47.33 46.66 1dk4 h GLY 7 CO 0.10 0.60 0.23 0.50 0.00 0.00 0.00 176.54 177.97 1dk4 h LYS 8 N -0.45 0.38 0.58 4.80 1.79 -1.48 0.27 116.57 122.45 1dk4 h LYS 8 Ca -0.10 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.32 1dk4 h LYS 8 Cb 1.44 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 32.01 1dk4 h LYS 8 CO 0.11 0.25 -0.28 -0.97 -1.08 0.00 0.00 179.45 177.49 1dk4 h ASN 9 N 0.40 -0.66 -0.94 0.86 -0.73 -1.59 -0.93 115.58 111.99 1dk4 h ASN 9 Ca 0.14 0.02 0.27 0.00 1.87 0.00 0.00 56.30 58.60 1dk4 h ASN 9 Cb 0.06 0.17 -0.17 0.00 0.27 0.00 0.00 38.32 38.66 1dk4 h ASN 9 CO -0.03 -0.39 0.15 0.40 -0.37 0.00 0.00 177.43 177.19 1dk4 h ILE 10 N -0.95 0.13 0.00 2.57 2.04 -1.40 0.39 117.51 120.30 1dk4 h ILE 10 Ca -0.08 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1dk4 h ILE 10 Cb 0.60 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1dk4 h ILE 10 CO 0.13 0.01 0.00 0.00 0.00 0.00 0.00 178.15 178.29 1dk4 n ALA 11 N -2.89 -0.36 -0.30 1.87 0.00 0.91 -1.87 120.51 117.86 1dk4 n ALA 11 Ca 0.24 0.00 0.35 0.00 0.00 0.00 0.00 53.44 54.02 1dk4 n ALA 11 Cb 0.78 0.09 0.66 0.00 0.00 0.00 0.00 19.45 20.97 1dk4 n ALA 11 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1dk4 h LYS 12 N 0.00 0.00 0.11 0.00 1.57 -0.03 -0.26 116.57 117.96 1dk4 h LYS 12 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1dk4 h LYS 12 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1dk4 h LYS 12 CO 0.00 0.00 -0.05 1.49 -0.57 0.00 0.00 179.45 180.32 1dk4 h GLU 13 N 0.00 -0.14 -0.61 3.15 4.57 -0.68 -2.81 114.58 118.06 1dk4 h GLU 13 Ca 0.56 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.81 1dk4 h GLU 13 Cb 2.65 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 31.20 1dk4 h GLU 13 CO -0.01 0.26 -0.36 -0.89 -1.18 0.00 0.00 179.01 176.84 1dk4 n ILE 14 N -4.84 -0.41 -0.37 2.32 2.08 -0.23 -0.37 119.36 117.53 1dk4 n ILE 14 Ca -0.06 1.93 0.30 0.00 0.56 0.00 0.00 62.75 65.49 1dk4 n ILE 14 Cb 0.23 -2.44 0.61 0.00 -0.75 0.00 0.00 39.64 37.29 1dk4 n ILE 14 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1dk4 h GLU 15 N 0.00 0.21 0.48 0.38 4.81 -1.33 -1.95 114.58 117.17 1dk4 h GLU 15 Ca 0.10 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1dk4 h GLU 15 Cb 0.25 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1dk4 h GLU 15 CO -0.57 0.14 -0.23 -0.22 -0.73 0.00 0.00 179.01 177.40 1dk4 h LYS 16 N 0.21 -0.62 0.00 1.92 3.11 -0.43 -2.67 116.57 118.10 1dk4 h LYS 16 Ca 0.67 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.55 1dk4 h LYS 16 Cb 2.06 0.14 0.00 0.00 -1.00 0.00 0.00 32.23 33.43 1dk4 h LYS 16 CO -0.27 -0.41 0.00 0.39 -2.81 0.00 0.00 179.45 176.35 1dk4 n GLU 17 N -4.44 0.72 0.00 1.90 -0.58 -0.97 -4.10 120.64 113.17 1dk4 n GLU 17 Ca -0.08 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1dk4 n GLU 17 Cb 0.25 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 1dk4 n GLU 17 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1dk4 n ILE 18 N -1.10 0.00 -0.15 -3.67 -5.35 -0.77 -4.78 119.36 103.54 1dk4 n ILE 18 Ca 0.19 -0.14 -0.09 0.00 -0.27 0.00 0.00 62.75 62.44 1dk4 n ILE 18 Cb 0.14 0.69 -0.00 0.00 -1.74 0.00 0.00 39.64 38.73 1dk4 n ILE 18 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1dk4 h LEU 19 N 0.00 0.63 -0.98 7.28 3.38 -1.62 -1.79 115.31 122.21 1dk4 h LEU 19 Ca 0.00 -0.21 0.34 0.00 0.09 0.00 0.00 57.88 58.10 1dk4 h LEU 19 Cb 0.00 -0.17 -0.17 0.00 0.09 0.00 0.00 40.66 40.42 1dk4 h LEU 19 CO 0.00 0.68 0.41 1.55 0.09 0.00 0.00 178.44 181.17 1dk4 h PRO 20 N 0.55 0.11 0.00 1.13 0.13 -1.84 0.63 132.00 132.71 1dk4 h PRO 20 Ca 0.14 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1dk4 h PRO 20 Cb 0.28 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.39 1dk4 h PRO 20 CO -0.00 0.07 0.01 1.88 -0.23 0.00 0.00 178.00 179.73 1dk4 h TYR 21 N 0.11 0.00 -2.09 1.56 0.99 -1.63 -3.45 116.97 112.47 1dk4 h TYR 21 Ca 0.74 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.88 1dk4 h TYR 21 Cb 1.77 0.00 0.01 0.00 1.00 0.00 0.00 36.73 39.51 1dk4 h TYR 21 CO -0.13 0.00 1.20 0.34 -0.00 0.00 0.00 178.16 179.57 1dk4 n PHE 22 N -2.46 2.32 0.00 4.88 -0.00 0.22 -1.66 117.46 120.76 1dk4 n PHE 22 Ca -0.02 -0.14 0.00 0.00 -0.00 0.00 0.00 57.45 57.30 1dk4 n PHE 22 Cb 0.05 -2.71 0.00 0.00 -0.00 0.00 0.00 39.48 36.82 1dk4 n PHE 22 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1dk4 n GLY 23 N 4.70 2.77 3.45 7.13 0.00 0.10 -4.82 105.19 118.52 1dk4 n GLY 23 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1dk4 n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dk4 n ARG 24 N -0.22 0.12 0.00 1.61 5.12 -0.67 -4.15 116.66 118.47 1dk4 n ARG 24 Ca 0.00 -1.05 0.05 0.00 -1.93 0.00 0.00 57.85 54.92 1dk4 n ARG 24 Cb 0.00 -2.51 0.30 0.00 -1.16 0.00 0.00 32.46 29.09 1dk4 n ARG 24 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1dk4 n LYS 25 N 7.80 0.40 -0.02 5.56 2.85 -1.20 -2.23 118.16 131.31 1dk4 n LYS 25 Ca 0.45 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.78 1dk4 n LYS 25 Cb 0.40 -1.40 -0.14 0.00 -0.65 0.00 0.00 35.03 33.24 1dk4 n LYS 25 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1dk4 n ASP 26 N -0.90 0.87 -1.01 -5.58 5.68 -1.26 -4.20 116.55 110.15 1dk4 n ASP 26 Ca 0.08 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.45 1dk4 n ASP 26 Cb 0.03 1.68 0.24 0.00 -1.14 0.00 0.00 41.12 41.94 1dk4 n ASP 26 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1dk4 n LYS 27 N -2.20 2.30 -4.20 0.11 4.76 -0.95 -4.88 118.16 113.10 1dk4 n LYS 27 Ca -0.07 -1.94 -0.28 0.00 -2.87 0.00 0.00 58.31 53.16 1dk4 n LYS 27 Cb 0.56 -1.44 -0.08 0.00 -1.84 0.00 0.00 35.03 32.23 1dk4 n LYS 27 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1dk4 s SER 28 N -0.98 4.73 0.18 4.39 0.15 -1.26 -5.01 113.70 115.90 1dk4 s SER 28 Ca 0.36 -0.36 -0.23 0.00 0.70 0.00 0.00 55.95 56.42 1dk4 s SER 28 Cb 0.19 -1.01 0.06 0.00 -1.71 0.00 0.00 66.02 63.55 1dk4 s SER 28 CO 0.24 0.12 0.75 -0.72 1.20 0.00 0.00 173.24 174.83 1dk4 s TYR 29 N -1.55 -0.31 0.23 3.44 -0.85 -1.26 -5.03 117.35 112.01 1dk4 s TYR 29 Ca 0.26 0.01 -0.30 0.00 -0.52 0.00 0.00 57.07 56.52 1dk4 s TYR 29 Cb -0.10 0.62 -0.09 0.00 0.38 0.00 0.00 41.96 42.78 1dk4 s TYR 29 CO 0.17 -0.94 1.04 0.08 -1.52 0.00 0.00 175.55 174.39 1dk4 s VAL 30 N -3.64 3.85 -0.03 -3.49 1.01 -1.26 -2.41 120.40 114.43 1dk4 s VAL 30 Ca 0.07 1.75 0.03 0.00 0.00 0.00 0.00 61.98 63.83 1dk4 s VAL 30 Cb -0.03 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 1dk4 s VAL 30 CO -0.03 0.37 0.03 0.52 0.00 0.00 0.00 175.10 176.00 1dk4 n VAL 31 N 1.74 0.17 -3.82 2.92 0.31 0.15 -4.92 118.33 114.89 1dk4 n VAL 31 Ca -0.00 -0.13 -0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1dk4 n VAL 31 Cb 0.46 -0.57 0.01 0.00 -0.91 0.00 0.00 33.84 32.83 1dk4 n VAL 31 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1dk4 s GLY 32 N -3.16 -0.16 -0.25 2.92 0.00 -0.87 -5.02 107.32 100.78 1dk4 s GLY 32 Ca -0.02 0.14 0.01 0.00 0.00 0.00 0.00 44.72 44.85 1dk4 s GLY 32 CO 0.14 2.35 -0.10 -1.08 0.00 0.00 0.00 173.10 174.42 1dk4 s THR 33 N -2.35 2.47 0.83 0.90 -1.32 -1.26 0.19 115.64 115.10 1dk4 s THR 33 Ca 0.20 -1.30 -0.15 0.00 -1.21 0.00 0.00 61.69 59.24 1dk4 s THR 33 Cb 0.00 -2.32 -0.02 0.00 -1.51 0.00 0.00 72.50 68.65 1dk4 s THR 33 CO 0.00 0.13 0.34 -1.54 -2.21 0.00 0.00 174.62 171.34 1dk4 n SER 34 N 4.56 -2.05 0.23 8.08 3.41 -0.16 -4.86 113.62 122.84 1dk4 n SER 34 Ca -0.16 0.46 0.07 0.00 -0.26 0.00 0.00 58.87 58.98 1dk4 n SER 34 Cb 0.45 -1.16 0.61 0.00 -0.26 0.00 0.00 64.21 63.85 1dk4 n SER 34 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1dk4 h PRO 35 N -0.88 0.05 0.00 4.33 0.13 -1.73 -1.15 132.00 132.76 1dk4 h PRO 35 Ca -0.44 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1dk4 h PRO 35 Cb 1.32 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1dk4 h PRO 35 CO 0.38 0.04 0.00 0.45 -0.23 0.00 0.00 178.00 178.64 1dk4 n SER 36 N -4.53 0.00 0.00 1.44 2.88 -1.26 -4.86 113.62 107.29 1dk4 n SER 36 Ca -0.02 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 1dk4 n SER 36 Cb 0.09 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 1dk4 n SER 36 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1dk4 n GLY 37 N -0.31 3.04 2.27 0.46 0.00 -0.43 -4.99 105.19 105.23 1dk4 n GLY 37 Ca 0.04 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.96 1dk4 n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dk4 n ASP 38 N 1.05 -4.11 -4.65 1.61 10.43 -1.26 -4.39 116.55 115.23 1dk4 n ASP 38 Ca 0.00 0.21 -0.39 0.00 2.57 0.00 0.00 54.79 57.18 1dk4 n ASP 38 Cb 0.00 -0.58 -0.07 0.00 1.84 0.00 0.00 41.12 42.31 1dk4 n ASP 38 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1dk4 s GLU 39 N -1.32 4.16 -0.14 -1.24 2.02 -1.26 -0.99 118.70 119.93 1dk4 s GLU 39 Ca 0.33 0.32 -0.21 0.00 0.02 0.00 0.00 54.97 55.43 1dk4 s GLU 39 Cb -0.19 -3.58 -0.03 0.00 0.10 0.00 0.00 34.13 30.44 1dk4 s GLU 39 CO 0.59 -0.16 0.64 0.99 0.02 0.00 0.00 175.26 177.33 1dk4 s THR 40 N 1.69 5.05 0.23 3.63 2.01 0.51 -4.84 115.64 123.92 1dk4 s THR 40 Ca 0.22 1.25 0.07 0.00 0.31 0.00 0.00 61.69 63.54 1dk4 s THR 40 Cb -0.15 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1dk4 s THR 40 CO 0.09 0.19 0.15 -1.61 -0.69 0.00 0.00 174.62 172.75 1dk4 s GLU 41 N 1.31 2.81 0.24 4.92 2.02 -1.26 -0.67 118.70 128.07 1dk4 s GLU 41 Ca 0.32 -1.06 -0.06 0.00 0.02 0.00 0.00 54.97 54.19 1dk4 s GLU 41 Cb -0.16 -2.52 0.24 0.00 0.10 0.00 0.00 34.13 31.79 1dk4 s GLU 41 CO 0.13 0.42 1.89 0.97 0.02 0.00 0.00 175.26 178.69 1dk4 h ILE 42 N 1.73 1.26 0.00 -1.63 2.10 -1.83 -1.23 117.51 117.91 1dk4 h ILE 42 Ca -0.48 -0.58 -0.01 0.00 1.08 0.00 0.00 64.86 64.88 1dk4 h ILE 42 Cb 1.23 -0.05 -0.00 0.00 -1.09 0.00 0.00 36.82 36.91 1dk4 h ILE 42 CO 0.61 0.28 -0.05 2.19 -1.08 0.00 0.00 178.15 180.10 1dk4 h PHE 43 N 1.29 0.00 0.63 2.19 -5.15 -1.95 0.12 116.94 114.08 1dk4 h PHE 43 Ca 0.33 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 58.07 1dk4 h PHE 43 Cb -0.04 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.14 1dk4 h PHE 43 CO 0.01 0.05 -0.30 -0.44 -2.00 0.00 0.00 178.31 175.62 1dk4 h ASP 44 N 0.00 -0.72 -0.47 -0.68 3.32 -1.64 -2.83 116.42 113.40 1dk4 h ASP 44 Ca -0.00 -0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.12 1dk4 h ASP 44 Cb 0.63 0.19 -0.09 0.00 0.22 0.00 0.00 39.33 40.27 1dk4 h ASP 44 CO 0.01 -0.37 -0.12 0.50 -1.72 0.00 0.00 179.24 177.54 1dk4 h LYS 45 N -1.09 0.00 0.00 3.56 3.11 -1.12 -0.23 116.57 120.79 1dk4 h LYS 45 Ca -0.09 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.75 1dk4 h LYS 45 Cb 0.70 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.93 1dk4 h LYS 45 CO 0.14 0.00 0.00 0.44 -2.81 0.00 0.00 179.45 177.22 1dk4 n ILE 46 N -5.34 0.91 -0.07 2.00 -5.35 0.35 0.12 119.36 111.99 1dk4 n ILE 46 Ca 0.04 0.31 -0.10 0.00 -0.27 0.00 0.00 62.75 62.73 1dk4 n ILE 46 Cb 0.25 -1.23 -0.07 0.00 -1.74 0.00 0.00 39.64 36.85 1dk4 n ILE 46 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1dk4 h SER 47 N 0.00 0.00 -0.12 7.28 0.02 -0.83 -2.30 113.55 117.61 1dk4 h SER 47 Ca 0.00 -0.44 0.04 0.00 -0.84 0.00 0.00 61.79 60.56 1dk4 h SER 47 Cb 0.29 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 1dk4 h SER 47 CO 0.00 0.94 -0.19 -0.08 -1.14 0.00 0.00 176.83 176.36 1dk4 h GLU 48 N -1.00 -0.23 -1.01 3.45 4.81 -0.98 0.38 114.58 119.99 1dk4 h GLU 48 Ca -0.08 0.02 0.24 0.00 -0.13 0.00 0.00 59.36 59.41 1dk4 h GLU 48 Cb 0.72 0.05 -0.10 0.00 0.63 0.00 0.00 28.75 30.05 1dk4 h GLU 48 CO -0.05 -0.16 0.63 -0.44 -0.73 0.00 0.00 179.01 178.27 1dk4 h ASP 49 N -0.24 0.57 0.86 1.04 5.19 -0.48 1.31 116.42 124.67 1dk4 h ASP 49 Ca 0.09 0.10 -0.10 0.00 -0.62 0.00 0.00 57.03 56.50 1dk4 h ASP 49 Cb 0.38 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 1dk4 h ASP 49 CO -0.26 0.13 -0.49 0.40 -3.12 0.00 0.00 179.24 175.90 1dk4 h ILE 50 N 0.52 1.08 -0.05 0.35 1.08 0.07 -3.29 117.51 117.26 1dk4 h ILE 50 Ca 0.60 -1.87 -0.05 0.00 -0.39 0.00 0.00 64.86 63.15 1dk4 h ILE 50 Cb 1.29 2.09 0.00 0.00 -3.07 0.00 0.00 36.82 37.13 1dk4 h ILE 50 CO -0.35 0.48 -0.15 0.00 -0.69 0.00 0.00 178.15 177.44 1dk4 h ALA 51 N 1.51 0.09 0.00 1.87 0.00 0.53 -3.09 119.26 120.17 1dk4 h ALA 51 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1dk4 h ALA 51 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1dk4 h ALA 51 CO 0.06 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.61 1dk4 n LEU 52 N -4.60 0.00 0.00 0.00 4.77 0.39 -1.56 117.00 116.00 1dk4 n LEU 52 Ca -0.08 0.41 0.10 0.00 -0.03 0.00 0.00 56.01 56.41 1dk4 n LEU 52 Cb 0.40 -0.41 0.53 0.00 -2.33 0.00 0.00 43.42 41.60 1dk4 n LEU 52 CO 0.38 -0.32 0.82 1.17 -1.33 0.00 0.00 177.39 178.11 1dk4 n LYS 53 N -1.41 0.33 -0.01 3.23 4.81 -1.17 -2.01 118.16 121.93 1dk4 n LYS 53 Ca 0.02 0.08 -0.04 0.00 -0.87 0.00 0.00 58.31 57.51 1dk4 n LYS 53 Cb 0.06 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 33.60 1dk4 n LYS 53 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1dk4 n TYR 54 N -1.26 0.00 0.31 5.64 4.02 -0.60 -4.72 117.16 120.55 1dk4 n TYR 54 Ca 0.10 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.14 1dk4 n TYR 54 Cb 0.15 -0.14 0.69 0.00 -0.02 0.00 0.00 39.34 40.03 1dk4 n TYR 54 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1dk4 h LEU 55 N -0.15 0.00 -0.49 7.72 3.38 -1.62 -2.36 115.31 121.78 1dk4 h LEU 55 Ca -0.08 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.72 1dk4 h LEU 55 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1dk4 h LEU 55 CO -0.05 0.00 -0.68 0.11 0.09 0.00 0.00 178.44 177.91 1dk4 h LYS 56 N 0.00 0.34 -0.00 1.13 1.57 -1.67 -3.06 116.57 114.89 1dk4 h LYS 56 Ca 0.00 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1dk4 h LYS 56 Cb 0.29 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1dk4 h LYS 56 CO 0.00 0.89 -0.05 0.43 -0.57 0.00 0.00 179.45 180.16 1dk4 n SER 57 N -3.85 0.12 -0.47 0.86 7.64 -0.89 -3.13 113.62 113.90 1dk4 n SER 57 Ca -0.03 -0.09 0.12 0.00 1.01 0.00 0.00 58.87 59.88 1dk4 n SER 57 Cb 0.67 -0.27 0.13 0.00 -1.01 0.00 0.00 64.21 63.74 1dk4 n SER 57 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1dk4 n LEU 58 N -1.28 1.82 -4.09 -3.43 4.77 -1.15 -4.95 117.00 108.69 1dk4 n LEU 58 Ca 0.12 -0.63 -0.34 0.00 -0.03 0.00 0.00 56.01 55.13 1dk4 n LEU 58 Cb 0.28 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.26 1dk4 n LEU 58 CO 0.25 0.33 -0.20 -3.20 -1.33 0.00 0.00 177.39 173.24 1dk4 n ASN 59 N -0.06 -1.02 -4.96 -1.43 5.15 -1.18 -4.95 115.26 106.81 1dk4 n ASN 59 Ca 0.11 -1.07 -0.22 0.00 -0.60 0.00 0.00 54.58 52.80 1dk4 n ASN 59 Cb 0.44 -1.36 0.04 0.00 -0.53 0.00 0.00 39.78 38.37 1dk4 n ASN 59 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1dk4 s VAL 60 N -3.21 2.90 0.60 3.44 -7.23 -1.26 -4.85 120.40 110.79 1dk4 s VAL 60 Ca 0.55 -0.56 -0.17 0.00 -1.81 0.00 0.00 61.98 59.99 1dk4 s VAL 60 Cb -0.32 -3.10 -0.03 0.00 0.56 0.00 0.00 36.38 33.48 1dk4 s VAL 60 CO 0.87 -0.08 1.12 0.20 -0.31 0.00 0.00 175.10 176.90 1dk4 s ASN 61 N -4.40 5.42 0.06 4.85 -0.87 0.25 -4.61 114.94 115.64 1dk4 s ASN 61 Ca 0.56 2.07 0.04 0.00 -1.57 0.00 0.00 52.86 53.96 1dk4 s ASN 61 Cb -0.10 -2.56 -0.03 0.00 -0.02 0.00 0.00 41.25 38.54 1dk4 s ASN 61 CO 0.39 -1.42 -0.11 -0.63 -2.57 0.00 0.00 177.10 172.76 1dk4 s ILE 62 N -2.08 0.83 -0.25 0.60 1.01 -0.84 -0.02 121.20 120.45 1dk4 s ILE 62 Ca 0.69 -1.17 -0.06 0.00 0.00 0.00 0.00 60.65 60.11 1dk4 s ILE 62 Cb -0.22 -0.84 0.12 0.00 0.01 0.00 0.00 42.46 41.54 1dk4 s ILE 62 CO 0.34 -0.29 0.51 -0.69 0.00 0.00 0.00 174.94 174.82 1dk4 s VAL 63 N -1.29 -0.80 0.06 2.92 1.01 -0.88 -2.32 120.40 119.10 1dk4 s VAL 63 Ca -0.06 0.06 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 1dk4 s VAL 63 Cb -0.10 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 1dk4 s VAL 63 CO 0.01 0.01 0.10 -0.94 0.00 0.00 0.00 175.10 174.29 1dk4 s SER 64 N 2.72 0.23 0.12 3.32 1.04 -0.71 -0.31 113.70 120.11 1dk4 s SER 64 Ca 0.02 -0.69 -0.22 0.00 0.48 0.00 0.00 55.95 55.53 1dk4 s SER 64 Cb -0.13 0.26 -0.05 0.00 0.10 0.00 0.00 66.02 66.21 1dk4 s SER 64 CO -0.16 -0.62 1.11 1.21 0.98 0.00 0.00 173.24 175.76 1dk4 n GLU 65 N 0.28 -0.32 0.00 4.02 2.13 -1.23 0.01 120.64 125.54 1dk4 n GLU 65 Ca -0.16 1.09 -0.02 0.00 0.66 0.00 0.00 57.16 58.73 1dk4 n GLU 65 Cb 0.61 -1.60 -0.01 0.00 0.27 0.00 0.00 31.44 30.70 1dk4 n GLU 65 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1dk4 h GLU 66 N 0.00 -0.10 -0.81 5.31 3.07 -1.96 -3.37 114.58 116.71 1dk4 h GLU 66 Ca 0.12 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.95 1dk4 h GLU 66 Cb 0.30 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.20 1dk4 h GLU 66 CO -0.68 -0.07 0.37 1.25 -1.40 0.00 0.00 179.01 178.48 1dk4 h LEU 67 N -0.92 1.07 0.00 1.33 5.85 -1.96 -3.34 115.31 117.34 1dk4 h LEU 67 Ca -0.01 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1dk4 h LEU 67 Cb 0.08 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.84 1dk4 h LEU 67 CO 0.02 0.91 0.00 0.61 -0.34 0.00 0.00 178.44 179.64 1dk4 n GLY 68 N -0.99 1.11 3.06 3.75 0.00 0.10 -4.88 105.19 107.33 1dk4 n GLY 68 Ca 0.08 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 1dk4 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dk4 s VAL 69 N 0.00 -0.02 -0.32 1.61 1.01 -1.26 -1.74 120.40 119.68 1dk4 s VAL 69 Ca 0.00 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1dk4 s VAL 69 Cb 0.00 -0.31 0.09 0.00 0.00 0.00 0.00 36.38 36.17 1dk4 s VAL 69 CO 0.00 0.02 0.02 -0.63 0.00 0.00 0.00 175.10 174.52 1dk4 s ILE 70 N 0.52 2.07 -0.49 2.22 1.01 -0.98 -5.01 121.20 120.53 1dk4 s ILE 70 Ca -0.03 -2.06 -0.20 0.00 0.00 0.00 0.00 60.65 58.35 1dk4 s ILE 70 Cb -0.05 -2.46 0.05 0.00 0.01 0.00 0.00 42.46 40.01 1dk4 s ILE 70 CO -0.03 -0.48 0.67 -0.62 0.00 0.00 0.00 174.94 174.48 1dk4 s ASP 71 N 1.04 6.27 0.00 3.58 3.68 -1.26 -1.99 116.67 127.99 1dk4 s ASP 71 Ca 0.07 -0.67 0.16 0.00 2.13 0.00 0.00 52.55 54.24 1dk4 s ASP 71 Cb -0.19 -2.32 0.48 0.00 -1.45 0.00 0.00 42.92 39.45 1dk4 s ASP 71 CO -0.09 -0.90 1.39 0.59 0.13 0.00 0.00 175.17 176.29 1dk4 n ASN 72 N 6.37 2.38 -3.25 -0.34 3.02 -1.26 -4.96 115.26 117.22 1dk4 n ASN 72 Ca -0.04 -1.93 -0.11 0.00 -0.03 0.00 0.00 54.58 52.47 1dk4 n ASN 72 Cb 0.46 -0.26 0.03 0.00 -0.61 0.00 0.00 39.78 39.41 1dk4 n ASN 72 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1dk4 n SER 73 N 0.79 -6.92 -4.39 6.41 7.64 -1.26 -4.95 113.62 110.94 1dk4 n SER 73 Ca 0.16 -0.48 -0.20 0.00 1.01 0.00 0.00 58.87 59.36 1dk4 n SER 73 Cb 0.40 -4.84 -0.10 0.00 -1.01 0.00 0.00 64.21 58.65 1dk4 n SER 73 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1dk4 s SER 74 N -3.20 2.66 0.17 6.43 0.15 -1.26 -5.03 113.70 113.62 1dk4 s SER 74 Ca 0.23 -1.11 -0.14 0.00 0.70 0.00 0.00 55.95 55.62 1dk4 s SER 74 Cb -0.04 -0.15 0.05 0.00 -1.71 0.00 0.00 66.02 64.17 1dk4 s SER 74 CO 0.77 -0.27 1.80 -0.33 1.20 0.00 0.00 173.24 176.41 1dk4 h GLU 75 N 2.41 0.70 -6.38 5.44 5.08 -1.95 -3.45 114.58 116.43 1dk4 h GLU 75 Ca -0.39 -0.07 -0.54 0.00 -1.00 0.00 0.00 59.36 57.37 1dk4 h GLU 75 Cb 1.23 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1dk4 h GLU 75 CO 0.65 0.52 -0.20 -1.58 -1.00 0.00 0.00 179.01 177.40 1dk4 s TRP 76 N -5.96 3.47 -0.17 4.33 0.52 -1.26 -1.45 118.94 118.41 1dk4 s TRP 76 Ca -0.13 0.63 -0.04 0.00 0.02 0.00 0.00 56.10 56.58 1dk4 s TRP 76 Cb 0.12 -2.08 0.08 0.00 -1.15 0.00 0.00 33.47 30.44 1dk4 s TRP 76 CO 0.75 0.27 0.23 0.99 0.02 0.00 0.00 176.95 179.21 1dk4 s THR 77 N -1.92 -0.35 -0.31 2.01 2.01 -0.62 -0.58 115.64 115.88 1dk4 s THR 77 Ca 0.43 0.03 -0.16 0.00 0.31 0.00 0.00 61.69 62.30 1dk4 s THR 77 Cb -0.11 -0.59 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 1dk4 s THR 77 CO 0.27 -0.09 0.43 -0.69 -0.69 0.00 0.00 174.62 173.85 1dk4 s VAL 78 N 2.35 5.11 -0.27 3.82 1.01 0.97 -1.61 120.40 131.79 1dk4 s VAL 78 Ca 0.05 0.42 -0.10 0.00 0.00 0.00 0.00 61.98 62.36 1dk4 s VAL 78 Cb -0.14 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1dk4 s VAL 78 CO -0.11 -0.02 0.15 -0.69 0.00 0.00 0.00 175.10 174.43 1dk4 s VAL 79 N 2.18 4.96 0.04 2.92 1.01 0.78 -2.07 120.40 130.23 1dk4 s VAL 79 Ca 0.16 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.26 1dk4 s VAL 79 Cb -0.16 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1dk4 s VAL 79 CO 0.11 0.29 -0.19 0.27 0.00 0.00 0.00 175.10 175.58 1dk4 s ILE 80 N 1.67 1.49 -0.36 2.22 -4.36 0.57 -1.30 121.20 121.13 1dk4 s ILE 80 Ca 0.07 -1.14 -0.02 0.00 -0.26 0.00 0.00 60.65 59.30 1dk4 s ILE 80 Cb -0.16 -1.31 0.08 0.00 1.25 0.00 0.00 42.46 42.33 1dk4 s ILE 80 CO 0.08 0.14 0.10 -0.62 0.24 0.00 0.00 174.94 174.88 1dk4 s ASP 81 N -1.17 5.06 0.27 4.36 3.68 0.11 -3.48 116.67 125.49 1dk4 s ASP 81 Ca 0.06 -1.73 -0.01 0.00 2.13 0.00 0.00 52.55 53.00 1dk4 s ASP 81 Cb -0.08 -1.76 0.48 0.00 -1.45 0.00 0.00 42.92 40.11 1dk4 s ASP 81 CO 0.02 -0.41 1.83 -0.65 0.13 0.00 0.00 175.17 176.09 1dk4 h PRO 82 N 7.99 0.93 -3.45 4.34 0.11 -1.90 -2.34 132.00 137.68 1dk4 h PRO 82 Ca -0.15 -0.06 -0.30 0.00 0.11 0.00 0.00 66.00 65.60 1dk4 h PRO 82 Cb 1.05 -0.21 -0.34 0.00 0.11 0.00 0.00 31.00 31.61 1dk4 h PRO 82 CO 0.61 0.62 -0.71 0.42 -0.21 0.00 0.00 178.00 178.73 1dk4 s ILE 83 N -5.99 -0.07 -0.43 4.15 1.01 -1.26 -4.53 121.20 114.08 1dk4 s ILE 83 Ca -0.12 0.23 -0.16 0.00 0.00 0.00 0.00 60.65 60.60 1dk4 s ILE 83 Cb 0.21 -0.12 0.03 0.00 0.01 0.00 0.00 42.46 42.59 1dk4 s ILE 83 CO 0.80 0.10 0.38 -0.62 0.00 0.00 0.00 174.94 175.60 1dk4 s ASP 84 N 1.21 6.15 0.00 3.58 2.15 0.46 -4.22 116.67 126.00 1dk4 s ASP 84 Ca -0.08 -0.86 0.00 0.00 0.43 0.00 0.00 52.55 52.04 1dk4 s ASP 84 Cb -0.13 -2.19 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 1dk4 s ASP 84 CO -0.04 -0.54 0.00 0.61 -0.17 0.00 0.00 175.17 175.03 1dk4 n GLY 85 N 5.15 -0.37 0.18 2.66 0.00 -1.26 -2.81 105.19 108.74 1dk4 n GLY 85 Ca -0.10 -0.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 1dk4 n GLY 85 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1dk4 h SER 86 N 0.00 -0.61 -0.05 1.61 0.87 -1.87 -3.19 113.55 110.31 1dk4 h SER 86 Ca 0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1dk4 h SER 86 Cb 0.76 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 1dk4 h SER 86 CO 0.00 -0.19 -0.03 0.33 -0.53 0.00 0.00 176.83 176.40 1dk4 n PHE 87 N -3.58 -0.02 -0.33 2.24 -0.00 -1.26 0.11 117.46 114.62 1dk4 n PHE 87 Ca -0.03 0.07 0.23 0.00 -0.00 0.00 0.00 57.45 57.72 1dk4 n PHE 87 Cb 0.15 -0.21 0.46 0.00 -0.00 0.00 0.00 39.48 39.88 1dk4 n PHE 87 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 1dk4 h ASN 88 N 0.00 0.44 0.02 -2.13 4.21 -1.85 0.97 115.58 117.24 1dk4 h ASN 88 Ca 0.01 0.20 -0.00 0.00 1.21 0.00 0.00 56.30 57.71 1dk4 h ASN 88 Cb 0.02 0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 1dk4 h ASN 88 CO -0.05 -0.16 -0.01 0.15 -1.29 0.00 0.00 177.43 176.08 1dk4 h PHE 89 N 0.29 -0.02 0.00 1.19 3.57 0.79 1.35 116.94 124.12 1dk4 h PHE 89 Ca 0.72 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 62.22 1dk4 h PHE 89 Cb 1.64 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 40.39 1dk4 h PHE 89 CO -0.04 0.61 -0.02 0.97 -2.23 0.00 0.00 178.31 177.60 1dk4 h ILE 90 N -0.68 0.17 -0.58 1.41 2.10 0.81 0.43 117.51 121.17 1dk4 h ILE 90 Ca -0.00 -0.15 -0.40 0.00 1.08 0.00 0.00 64.86 65.39 1dk4 h ILE 90 Cb 0.64 1.12 -0.26 0.00 -1.09 0.00 0.00 36.82 37.23 1dk4 h ILE 90 CO 0.00 0.02 -0.31 0.59 -1.08 0.00 0.00 178.15 177.37 1dk4 n ASN 91 N -3.30 4.23 -4.34 2.19 4.13 0.31 -3.23 115.26 115.26 1dk4 n ASN 91 Ca -0.02 -3.79 -0.35 0.00 1.68 0.00 0.00 54.58 52.10 1dk4 n ASN 91 Cb 0.13 -0.55 -0.07 0.00 -1.54 0.00 0.00 39.78 37.75 1dk4 n ASN 91 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1dk4 n GLY 92 N -0.91 -0.27 3.37 7.41 0.00 -0.93 -4.92 105.19 108.94 1dk4 n GLY 92 Ca 0.41 0.13 -0.37 0.00 0.00 0.00 0.00 46.02 46.19 1dk4 n GLY 92 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dk4 s ILE 93 N -3.80 4.07 -1.28 -0.61 1.01 0.46 -4.97 121.20 116.07 1dk4 s ILE 93 Ca 0.38 -0.54 -0.10 0.00 0.00 0.00 0.00 60.65 60.40 1dk4 s ILE 93 Cb -0.22 -3.04 -0.07 0.00 0.01 0.00 0.00 42.46 39.15 1dk4 s ILE 93 CO 0.99 0.16 2.48 -0.81 0.00 0.00 0.00 174.94 177.75 1dk4 n PRO 94 N 4.89 2.83 -3.15 2.79 -0.04 -1.26 -4.15 135.00 136.91 1dk4 n PRO 94 Ca -0.15 -1.96 -0.20 0.00 -0.04 0.00 0.00 63.50 61.16 1dk4 n PRO 94 Cb 0.49 -2.75 -0.06 0.00 -0.04 0.00 0.00 33.50 31.14 1dk4 n PRO 94 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1dk4 n PHE 95 N 4.47 -1.66 -4.22 0.54 3.72 -1.26 -5.00 117.46 114.04 1dk4 n PHE 95 Ca 0.61 -2.80 -0.16 0.00 -0.05 0.00 0.00 57.45 55.05 1dk4 n PHE 95 Cb 0.23 0.51 -0.09 0.00 -0.94 0.00 0.00 39.48 39.20 1dk4 n PHE 95 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 1dk4 s PHE 96 N 0.01 1.41 -0.13 1.38 -0.12 -1.26 -4.67 117.98 114.61 1dk4 s PHE 96 Ca 0.33 -1.49 -0.30 0.00 -0.05 0.00 0.00 56.93 55.42 1dk4 s PHE 96 Cb 0.08 -0.58 0.12 0.00 -0.63 0.00 0.00 43.02 42.02 1dk4 s PHE 96 CO -0.15 -0.80 1.00 0.00 -0.05 0.00 0.00 175.22 175.22 1dk4 s ALA 97 N -3.74 -1.93 -0.17 1.99 0.00 -1.12 -4.29 121.76 112.50 1dk4 s ALA 97 Ca 0.39 1.45 -0.25 0.00 0.00 0.00 0.00 51.96 53.55 1dk4 s ALA 97 Cb 0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 1dk4 s ALA 97 CO 0.20 -0.43 0.80 0.12 0.00 0.00 0.00 175.76 176.44 1dk4 s PHE 98 N -1.76 3.42 -0.29 0.00 5.36 0.13 0.17 117.98 125.01 1dk4 s PHE 98 Ca 0.02 1.21 -0.09 0.00 -0.96 0.00 0.00 56.93 57.11 1dk4 s PHE 98 Cb -0.01 -2.98 -0.01 0.00 -0.34 0.00 0.00 43.02 39.68 1dk4 s PHE 98 CO -0.02 -0.22 0.12 0.00 -1.46 0.00 0.00 175.22 173.63 1dk4 s PHE 100 N 1.60 1.70 -0.16 0.00 5.36 -0.50 -0.72 117.98 125.27 1dk4 s PHE 100 Ca 0.05 -1.54 -0.02 0.00 -0.96 0.00 0.00 56.93 54.46 1dk4 s PHE 100 Cb -0.16 -1.55 -0.01 0.00 -0.34 0.00 0.00 43.02 40.96 1dk4 s PHE 100 CO 0.05 -0.79 -0.09 0.20 -1.46 0.00 0.00 175.22 173.13 1dk4 s GLY 101 N 1.62 1.58 -0.12 13.12 0.00 -0.42 -0.63 107.32 122.48 1dk4 s GLY 101 Ca 0.04 -0.98 -0.03 0.00 0.00 0.00 0.00 44.72 43.76 1dk4 s GLY 101 CO -0.17 0.03 -0.01 0.14 0.00 0.00 0.00 173.10 173.09 1dk4 s VAL 102 N 0.73 4.17 -0.04 1.40 1.01 0.18 -0.16 120.40 127.70 1dk4 s VAL 102 Ca -0.04 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.69 1dk4 s VAL 102 Cb -0.15 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1dk4 s VAL 102 CO 0.02 0.55 -0.12 -0.36 0.00 0.00 0.00 175.10 175.19 1dk4 s PHE 103 N -0.33 1.28 -0.27 5.22 0.40 -0.63 -1.80 117.98 121.85 1dk4 s PHE 103 Ca 0.06 -0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 55.98 1dk4 s PHE 103 Cb -0.12 -0.91 0.03 0.00 0.51 0.00 0.00 43.02 42.52 1dk4 s PHE 103 CO 0.02 -0.16 -0.00 0.21 0.70 0.00 0.00 175.22 175.99 1dk4 s LYS 104 N 0.29 2.84 -1.21 0.44 2.20 0.89 -1.59 119.74 123.60 1dk4 s LYS 104 Ca -0.06 -1.00 -0.21 0.00 -0.36 0.00 0.00 55.97 54.34 1dk4 s LYS 104 Cb -0.11 -3.15 0.01 0.00 -1.51 0.00 0.00 37.83 33.06 1dk4 s LYS 104 CO 0.02 -0.46 0.69 0.09 -0.36 0.00 0.00 175.35 175.32 1dk4 n ASN 105 N 4.73 -4.08 -2.46 1.43 3.02 -0.53 0.27 115.26 117.63 1dk4 n ASN 105 Ca -0.15 -1.10 -0.12 0.00 -0.03 0.00 0.00 54.58 53.18 1dk4 n ASN 105 Cb 0.47 -2.83 -0.01 0.00 -0.61 0.00 0.00 39.78 36.80 1dk4 n ASN 105 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1dk4 n ASN 106 N -2.59 -3.88 -4.08 6.41 4.13 -1.26 -4.95 115.26 109.04 1dk4 n ASN 106 Ca -0.14 0.18 -0.32 0.00 1.68 0.00 0.00 54.58 55.99 1dk4 n ASN 106 Cb 0.60 -3.30 -0.16 0.00 -1.54 0.00 0.00 39.78 35.38 1dk4 n ASN 106 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1dk4 s GLU 107 N -5.05 2.63 -0.50 3.52 2.12 0.14 -5.06 118.70 116.50 1dk4 s GLU 107 Ca 0.01 -0.84 -0.44 0.00 0.36 0.00 0.00 54.97 54.06 1dk4 s GLU 107 Cb -0.00 -2.49 -0.19 0.00 0.26 0.00 0.00 34.13 31.71 1dk4 s GLU 107 CO 0.01 -0.29 2.11 -0.35 -0.54 0.00 0.00 175.26 176.20 1dk4 n PRO 108 N 4.64 0.03 0.00 4.30 -0.04 -1.26 -0.07 135.00 142.59 1dk4 n PRO 108 Ca -0.18 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1dk4 n PRO 108 Cb 0.49 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1dk4 n PRO 108 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1dk4 n TYR 109 N 7.34 0.00 -4.42 0.54 9.36 -0.74 -4.45 117.16 124.78 1dk4 n TYR 109 Ca 0.53 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 61.50 1dk4 n TYR 109 Cb -0.03 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 38.56 1dk4 n TYR 109 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1dk4 s TYR 110 N -0.55 2.21 -0.22 2.98 6.04 -1.10 0.11 117.35 126.82 1dk4 s TYR 110 Ca 0.00 -0.37 -0.04 0.00 0.04 0.00 0.00 57.07 56.70 1dk4 s TYR 110 Cb 0.00 -1.06 0.11 0.00 -1.04 0.00 0.00 41.96 39.97 1dk4 s TYR 110 CO 0.00 0.53 0.33 0.20 -1.54 0.00 0.00 175.55 175.07 1dk4 s GLY 111 N -2.90 -0.27 0.04 8.97 0.00 -0.71 -0.65 107.32 111.81 1dk4 s GLY 111 Ca 0.22 0.83 0.03 0.00 0.00 0.00 0.00 44.72 45.80 1dk4 s GLY 111 CO 0.11 2.43 -0.01 -2.27 0.00 0.00 0.00 173.10 173.36 1dk4 s LEU 112 N 2.49 3.45 -0.22 0.66 2.96 0.20 -1.51 118.68 126.70 1dk4 s LEU 112 Ca 0.08 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.85 1dk4 s LEU 112 Cb -0.15 -2.08 0.12 0.00 0.50 0.00 0.00 46.19 44.58 1dk4 s LEU 112 CO -0.14 0.23 0.35 -0.89 -1.32 0.00 0.00 176.35 174.58 1dk4 s THR 113 N -1.19 -0.55 -0.19 3.68 2.01 -0.04 -1.41 115.64 117.96 1dk4 s THR 113 Ca 0.22 -0.03 -0.04 0.00 0.31 0.00 0.00 61.69 62.15 1dk4 s THR 113 Cb -0.12 -0.75 -0.02 0.00 0.01 0.00 0.00 72.50 71.62 1dk4 s THR 113 CO 0.14 -0.10 -0.02 -0.47 -0.69 0.00 0.00 174.62 173.48 1dk4 s TYR 114 N 2.51 3.02 -0.67 4.92 6.04 0.43 -1.10 117.35 132.50 1dk4 s TYR 114 Ca 0.10 -0.48 -0.15 0.00 0.04 0.00 0.00 57.07 56.58 1dk4 s TYR 114 Cb -0.15 -2.04 0.17 0.00 -1.04 0.00 0.00 41.96 38.90 1dk4 s TYR 114 CO -0.14 -0.22 0.63 -2.00 -1.54 0.00 0.00 175.55 172.28 1dk4 s GLU 115 N 0.85 3.26 0.00 4.97 2.12 -0.37 0.22 118.70 129.75 1dk4 s GLU 115 Ca -0.00 -2.02 0.00 0.00 0.36 0.00 0.00 54.97 53.31 1dk4 s GLU 115 Cb -0.14 -4.36 0.00 0.00 0.26 0.00 0.00 34.13 29.88 1dk4 s GLU 115 CO 0.02 -1.33 0.98 1.19 -0.54 0.00 0.00 175.26 175.58 1dk4 n PHE 116 N 4.77 0.00 0.04 5.30 3.01 -1.26 -1.61 117.46 127.70 1dk4 n PHE 116 Ca -0.02 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.62 1dk4 n PHE 116 Cb 0.43 -0.48 0.67 0.00 -0.01 0.00 0.00 39.48 40.09 1dk4 n PHE 116 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1dk4 h LEU 117 N 0.00 0.03 -0.41 4.37 3.38 -1.94 0.10 115.31 120.85 1dk4 h LEU 117 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1dk4 h LEU 117 Cb 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1dk4 h LEU 117 CO 0.00 0.02 -0.44 0.35 0.09 0.00 0.00 178.44 178.46 1dk4 n THR 118 N -4.42 0.00 -2.92 0.22 -2.24 -1.02 -4.95 114.28 98.95 1dk4 n THR 118 Ca 0.07 -0.11 -0.17 0.00 -2.27 0.00 0.00 64.05 61.58 1dk4 n THR 118 Cb 0.50 0.58 0.03 0.00 -2.10 0.00 0.00 70.33 69.34 1dk4 n THR 118 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1dk4 n LYS 119 N -0.84 -4.13 -4.55 -0.78 4.01 0.36 -4.99 118.16 107.24 1dk4 n LYS 119 Ca 0.09 0.68 -0.33 0.00 -0.51 0.00 0.00 58.31 58.24 1dk4 n LYS 119 Cb 0.36 -5.08 -0.15 0.00 -0.51 0.00 0.00 35.03 29.66 1dk4 n LYS 119 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1dk4 s SER 120 N -2.86 3.86 -0.27 4.39 0.01 -1.11 -5.01 113.70 112.70 1dk4 s SER 120 Ca 0.27 -0.41 -0.11 0.00 1.31 0.00 0.00 55.95 57.00 1dk4 s SER 120 Cb -0.12 -1.60 -0.05 0.00 0.21 0.00 0.00 66.02 64.46 1dk4 s SER 120 CO 0.33 0.10 0.21 -0.36 0.41 0.00 0.00 173.24 173.94 1dk4 s PHE 121 N 0.72 3.23 -0.65 2.43 0.40 -1.26 -1.24 117.98 121.62 1dk4 s PHE 121 Ca -0.06 0.17 -0.14 0.00 -0.60 0.00 0.00 56.93 56.30 1dk4 s PHE 121 Cb -0.15 -2.40 0.16 0.00 0.51 0.00 0.00 43.02 41.14 1dk4 s PHE 121 CO 0.02 -0.15 0.58 0.71 0.70 0.00 0.00 175.22 177.08 1dk4 s TYR 122 N 1.74 3.48 -0.02 0.36 1.51 -0.26 -0.43 117.35 123.73 1dk4 s TYR 122 Ca 0.08 -1.69 0.05 0.00 -1.01 0.00 0.00 57.07 54.50 1dk4 s TYR 122 Cb -0.16 -3.75 -0.01 0.00 -0.11 0.00 0.00 41.96 37.93 1dk4 s TYR 122 CO 0.10 -1.00 -0.17 -1.83 -1.11 0.00 0.00 175.55 171.55 1dk4 s GLU 123 N 0.94 1.47 -0.20 -0.62 -1.05 -0.29 -0.86 118.70 118.09 1dk4 s GLU 123 Ca 0.10 -0.60 -0.09 0.00 -0.15 0.00 0.00 54.97 54.22 1dk4 s GLU 123 Cb -0.21 -1.38 0.08 0.00 -0.44 0.00 0.00 34.13 32.17 1dk4 s GLU 123 CO -0.02 0.33 0.46 0.00 0.95 0.00 0.00 175.26 176.98 1dk4 s ALA 124 N -0.27 -1.25 0.04 -0.84 0.00 -0.57 -0.96 121.76 117.93 1dk4 s ALA 124 Ca 0.04 1.69 -0.12 0.00 0.00 0.00 0.00 51.96 53.57 1dk4 s ALA 124 Cb -0.08 -1.16 -0.06 0.00 0.00 0.00 0.00 23.12 21.82 1dk4 s ALA 124 CO 0.00 -0.47 0.39 0.71 0.00 0.00 0.00 175.76 176.40 1dk4 s TYR 125 N 1.89 3.64 0.12 0.00 2.02 -1.22 -1.74 117.35 122.06 1dk4 s TYR 125 Ca -0.07 0.86 -0.31 0.00 -0.37 0.00 0.00 57.07 57.18 1dk4 s TYR 125 Cb -0.09 -2.20 -0.10 0.00 -0.40 0.00 0.00 41.96 39.17 1dk4 s TYR 125 CO -0.14 0.57 1.73 0.21 -1.57 0.00 0.00 175.55 176.36 1dk4 s LYS 126 N -1.57 4.16 0.00 -0.62 2.47 0.30 -1.72 119.74 122.76 1dk4 s LYS 126 Ca 0.29 2.49 0.00 0.00 -1.56 0.00 0.00 55.97 57.19 1dk4 s LYS 126 Cb -0.15 -3.50 0.00 0.00 -1.46 0.00 0.00 37.83 32.72 1dk4 s LYS 126 CO 0.16 -0.77 0.00 0.41 0.16 0.00 0.00 175.35 175.30 1dk4 n GLY 127 N 4.08 3.37 0.64 5.54 0.00 -1.26 -4.91 105.19 112.65 1dk4 n GLY 127 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 1dk4 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dk4 n LYS 128 N -1.73 1.97 0.00 1.61 4.76 -0.70 -5.10 118.16 118.97 1dk4 n LYS 128 Ca 0.00 -1.76 0.00 0.00 -2.87 0.00 0.00 58.31 53.68 1dk4 n LYS 128 Cb 0.00 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 1dk4 n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dk4 n GLY 129 N 0.69 -0.35 3.34 0.72 0.00 -1.24 -4.86 105.19 103.49 1dk4 n GLY 129 Ca 0.11 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 1dk4 n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dk4 s ALA 130 N -1.21 2.39 0.09 4.61 0.00 -1.25 -3.42 121.76 122.97 1dk4 s ALA 130 Ca 0.00 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 51.02 1dk4 s ALA 130 Cb 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 1dk4 s ALA 130 CO 0.00 0.42 -0.15 0.71 0.00 0.00 0.00 175.76 176.73 1dk4 s TYR 131 N -0.20 1.38 -0.54 0.00 1.51 -0.13 -0.63 117.35 118.74 1dk4 s TYR 131 Ca -0.01 -0.48 0.02 0.00 -1.01 0.00 0.00 57.07 55.59 1dk4 s TYR 131 Cb -0.13 -0.75 0.14 0.00 -0.11 0.00 0.00 41.96 41.10 1dk4 s TYR 131 CO 0.03 0.11 0.30 -1.17 -1.11 0.00 0.00 175.55 173.71 1dk4 s LEU 132 N -1.98 4.64 -1.87 -1.29 1.98 -0.33 -1.14 118.68 118.69 1dk4 s LEU 132 Ca 0.03 -2.90 0.00 0.00 -2.89 0.00 0.00 54.13 48.37 1dk4 s LEU 132 Cb -0.08 -1.71 0.00 0.00 0.66 0.00 0.00 46.19 45.06 1dk4 s LEU 132 CO 0.03 -0.29 0.00 0.59 -1.89 0.00 0.00 176.35 174.79 1dk4 n ASN 133 N 3.32 -5.27 0.00 3.68 3.02 0.43 -2.48 115.26 117.95 1dk4 n ASN 133 Ca 0.06 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 1dk4 n ASN 133 Cb 0.35 -4.39 0.00 0.00 -0.61 0.00 0.00 39.78 35.13 1dk4 n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dk4 n GLY 134 N -0.78 0.58 3.70 7.41 0.00 -1.26 -5.07 105.19 109.77 1dk4 n GLY 134 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1dk4 n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dk4 s ARG 135 N -0.65 3.69 0.33 1.61 0.52 -1.04 -5.00 118.95 118.42 1dk4 s ARG 135 Ca 0.00 -0.30 -0.29 0.00 -0.52 0.00 0.00 55.73 54.62 1dk4 s ARG 135 Cb 0.00 -3.14 -0.11 0.00 0.52 0.00 0.00 34.95 32.22 1dk4 s ARG 135 CO 0.00 0.46 1.48 0.21 0.02 0.00 0.00 175.30 177.47 1dk4 s LYS 136 N -0.16 4.17 0.00 3.54 2.20 -1.26 -1.19 119.74 127.04 1dk4 s LYS 136 Ca 0.08 2.48 0.02 0.00 -0.36 0.00 0.00 55.97 58.19 1dk4 s LYS 136 Cb -0.12 -3.02 -0.01 0.00 -1.51 0.00 0.00 37.83 33.18 1dk4 s LYS 136 CO 0.01 -0.49 -0.06 0.96 -0.36 0.00 0.00 175.35 175.41 1dk4 s ILE 137 N -0.72 0.49 0.08 5.43 -4.36 0.20 -4.89 121.20 117.43 1dk4 s ILE 137 Ca 0.55 -0.41 -0.01 0.00 -0.26 0.00 0.00 60.65 60.53 1dk4 s ILE 137 Cb -0.45 -0.45 -0.04 0.00 1.25 0.00 0.00 42.46 42.77 1dk4 s ILE 137 CO 0.55 0.04 -0.02 -0.54 0.24 0.00 0.00 174.94 175.21 1dk4 s LYS 138 N -0.41 0.72 0.73 0.37 1.02 -1.21 -4.50 119.74 116.45 1dk4 s LYS 138 Ca 0.00 -1.29 -0.08 0.00 0.02 0.00 0.00 55.97 54.62 1dk4 s LYS 138 Cb -0.04 0.14 0.02 0.00 -0.52 0.00 0.00 37.83 37.43 1dk4 s LYS 138 CO -0.00 -0.12 -0.14 1.33 -0.92 0.00 0.00 175.35 175.49 1dk4 n VAL 139 N 0.04 0.00 -3.82 3.17 0.24 0.20 -4.09 118.33 114.07 1dk4 n VAL 139 Ca -0.12 -0.02 -0.36 0.00 -2.04 0.00 0.00 64.34 61.81 1dk4 n VAL 139 Cb 0.62 -0.15 -0.07 0.00 -1.47 0.00 0.00 33.84 32.76 1dk4 n VAL 139 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1dk4 s LYS 140 N -2.43 3.85 -0.32 7.34 2.20 -1.26 -4.71 119.74 124.41 1dk4 s LYS 140 Ca 0.16 -0.20 -0.28 0.00 -0.36 0.00 0.00 55.97 55.29 1dk4 s LYS 140 Cb -0.00 -3.30 -0.06 0.00 -1.51 0.00 0.00 37.83 32.95 1dk4 s LYS 140 CO 0.20 0.50 2.29 -0.25 -0.36 0.00 0.00 175.35 177.73 1dk4 n ASP 141 N 2.88 2.83 -4.37 1.43 10.43 -1.26 -4.88 116.55 123.62 1dk4 n ASP 141 Ca -0.18 0.01 -0.36 0.00 2.57 0.00 0.00 54.79 56.83 1dk4 n ASP 141 Cb 0.53 -1.53 0.07 0.00 1.84 0.00 0.00 41.12 42.03 1dk4 n ASP 141 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 1dk4 n PHE 142 N 12.79 -1.70 -3.43 1.24 -0.00 -1.26 -5.04 117.46 120.06 1dk4 n PHE 142 Ca 0.34 0.29 0.01 0.00 -0.00 0.00 0.00 57.45 58.09 1dk4 n PHE 142 Cb 0.45 -1.81 -0.04 0.00 -0.00 0.00 0.00 39.48 38.09 1dk4 n PHE 142 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 1dk4 s ASN 143 N -1.46 -0.70 0.30 -2.13 2.47 -1.26 -5.06 114.94 107.11 1dk4 s ASN 143 Ca 0.60 0.91 -0.01 0.00 0.42 0.00 0.00 52.86 54.78 1dk4 s ASN 143 Cb -0.32 1.78 0.47 0.00 -1.45 0.00 0.00 41.25 41.73 1dk4 s ASN 143 CO 0.64 -0.13 1.94 1.55 -3.72 0.00 0.00 177.10 177.38 1dk4 h PRO 144 N 7.63 0.97 -2.36 0.43 0.13 -1.98 -3.02 132.00 133.79 1dk4 h PRO 144 Ca -0.16 -0.09 -0.69 0.00 -0.87 0.00 0.00 66.00 64.19 1dk4 h PRO 144 Cb 1.12 -0.20 -0.17 0.00 0.13 0.00 0.00 31.00 31.88 1dk4 h PRO 144 CO 0.08 0.69 1.60 0.09 -0.23 0.00 0.00 178.00 180.23 1dk4 n ASN 145 N -4.38 7.51 0.00 1.44 5.03 -1.26 -3.77 115.26 119.82 1dk4 n ASN 145 Ca 0.07 -3.28 0.00 0.00 0.87 0.00 0.00 54.58 52.24 1dk4 n ASN 145 Cb 0.08 -1.28 0.00 0.00 -1.02 0.00 0.00 39.78 37.56 1dk4 n ASN 145 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1dk4 n ASN 146 N 1.10 0.00 -4.71 6.41 5.15 -1.19 -5.09 115.26 116.93 1dk4 n ASN 146 Ca 0.56 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 54.11 1dk4 n ASN 146 Cb 0.33 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.56 1dk4 n ASN 146 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1dk4 n ILE 147 N 0.00 1.14 -3.99 -1.44 3.06 -1.15 -4.82 119.36 112.17 1dk4 n ILE 147 Ca 0.00 -0.29 -0.30 0.00 -2.50 0.00 0.00 62.75 59.66 1dk4 n ILE 147 Cb 0.00 -1.72 -0.16 0.00 0.54 0.00 0.00 39.64 38.30 1dk4 n ILE 147 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 1dk4 s VAL 148 N -0.19 1.59 0.40 9.51 1.01 -1.26 -1.64 120.40 129.81 1dk4 s VAL 148 Ca 0.64 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1dk4 s VAL 148 Cb -0.57 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1dk4 s VAL 148 CO 0.51 0.24 0.06 0.27 0.00 0.00 0.00 175.10 176.18 1dk4 s ILE 149 N 1.43 1.14 0.19 2.22 -4.36 -0.73 -1.02 121.20 120.07 1dk4 s ILE 149 Ca 0.00 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.45 1dk4 s ILE 149 Cb -0.15 -2.58 -0.05 0.00 1.25 0.00 0.00 42.46 40.93 1dk4 s ILE 149 CO -0.09 0.00 -0.11 -0.55 0.24 0.00 0.00 174.94 174.43 1dk4 s SER 150 N -3.63 2.20 -0.29 4.36 0.15 -1.16 -1.25 113.70 114.08 1dk4 s SER 150 Ca 0.27 -1.04 -0.31 0.00 0.70 0.00 0.00 55.95 55.56 1dk4 s SER 150 Cb 0.06 -0.07 0.18 0.00 -1.71 0.00 0.00 66.02 64.48 1dk4 s SER 150 CO 0.13 -0.27 1.37 -0.72 1.20 0.00 0.00 173.24 174.95 1dk4 s TYR 151 N -3.16 -0.03 -0.44 3.44 -0.85 -1.26 -3.63 117.35 111.42 1dk4 s TYR 151 Ca 0.21 0.04 0.07 0.00 -0.52 0.00 0.00 57.07 56.87 1dk4 s TYR 151 Cb 0.01 0.50 0.25 0.00 0.38 0.00 0.00 41.96 43.10 1dk4 s TYR 151 CO 0.05 -0.03 0.56 0.66 -1.52 0.00 0.00 175.55 175.26 1dk4 n TYR 152 N 0.38 0.40 -1.49 -3.49 4.02 -1.25 -4.93 117.16 110.80 1dk4 n TYR 152 Ca 0.01 -3.67 -0.18 0.00 -0.01 0.00 0.00 57.90 54.06 1dk4 n TYR 152 Cb 0.58 -0.37 0.13 0.00 -0.02 0.00 0.00 39.34 39.66 1dk4 n TYR 152 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1dk4 n PRO 153 N 1.37 -0.92 -0.57 -0.72 -0.04 -1.26 -2.87 135.00 129.99 1dk4 n PRO 153 Ca 0.23 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.46 1dk4 n PRO 153 Cb 0.50 -0.84 0.00 0.00 -0.04 0.00 0.00 33.50 33.12 1dk4 n PRO 153 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1dk4 n SER 154 N -3.57 0.00 -1.06 3.54 3.41 -1.26 -4.46 113.62 110.21 1dk4 n SER 154 Ca 0.10 -0.88 0.04 0.00 -0.26 0.00 0.00 58.87 57.86 1dk4 n SER 154 Cb 0.35 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.49 1dk4 n SER 154 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1dk4 n LYS 155 N -0.88 2.66 -2.55 4.33 -0.00 -1.26 -4.09 118.16 116.36 1dk4 n LYS 155 Ca 0.00 -1.47 -0.11 0.00 -0.00 0.00 0.00 58.31 56.74 1dk4 n LYS 155 Cb 0.00 -1.74 0.03 0.00 -0.00 0.00 0.00 35.03 33.32 1dk4 n LYS 155 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1dk4 n LYS 156 N 0.35 2.31 -3.69 -1.58 5.02 -1.26 -5.02 118.16 114.29 1dk4 n LYS 156 Ca 0.13 -3.74 -0.24 0.00 -2.02 0.00 0.00 58.31 52.44 1dk4 n LYS 156 Cb 0.62 -1.79 -0.17 0.00 -0.02 0.00 0.00 35.03 33.67 1dk4 n LYS 156 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1dk4 s ILE 157 N -4.07 0.14 -1.05 -0.18 -1.09 -1.26 -4.85 121.20 108.84 1dk4 s ILE 157 Ca 0.36 -0.02 -0.27 0.00 -2.23 0.00 0.00 60.65 58.48 1dk4 s ILE 157 Cb 0.38 -0.55 -0.23 0.00 -1.58 0.00 0.00 42.46 40.48 1dk4 s ILE 157 CO -0.02 -0.02 2.15 -0.67 -1.23 0.00 0.00 174.94 175.15 1dk4 n ASP 158 N 5.21 1.37 -0.31 3.58 2.03 -1.26 -4.75 116.55 122.41 1dk4 n ASP 158 Ca -0.06 -2.36 -0.02 0.00 0.52 0.00 0.00 54.79 52.86 1dk4 n ASP 158 Cb 0.49 -1.73 0.03 0.00 -0.72 0.00 0.00 41.12 39.20 1dk4 n ASP 158 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1dk4 h LEU 159 N 22.65 -1.30 -1.18 -2.67 4.07 -1.97 0.31 115.31 135.22 1dk4 h LEU 159 Ca 0.00 0.28 0.21 0.00 0.08 0.00 0.00 57.88 58.45 1dk4 h LEU 159 Cb 1.00 0.68 -0.10 0.00 1.08 0.00 0.00 40.66 43.32 1dk4 h LEU 159 CO 1.00 -0.29 0.62 -0.33 -1.08 0.00 0.00 178.44 178.35 1dk4 h GLU 160 N -0.06 0.60 0.00 1.13 4.39 -1.98 -1.36 114.58 117.30 1dk4 h GLU 160 Ca 0.31 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1dk4 h GLU 160 Cb 0.58 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1dk4 h GLU 160 CO -0.87 0.40 0.00 1.17 -1.16 0.00 0.00 179.01 178.55 1dk4 n LYS 161 N -4.69 0.00 -0.33 2.33 3.00 0.11 -1.53 118.16 117.05 1dk4 n LYS 161 Ca 0.23 0.40 0.14 0.00 -0.00 0.00 0.00 58.31 59.07 1dk4 n LYS 161 Cb 0.66 -1.32 0.27 0.00 0.00 0.00 0.00 35.03 34.64 1dk4 n LYS 161 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1dk4 n LEU 162 N -1.59 -0.13 0.13 3.14 0.00 -1.07 0.19 117.00 117.67 1dk4 n LEU 162 Ca 0.00 1.61 0.12 0.00 0.00 0.00 0.00 56.01 57.74 1dk4 n LEU 162 Cb 0.00 -0.58 0.48 0.00 0.00 0.00 0.00 43.42 43.32 1dk4 n LEU 162 CO 0.00 -1.62 0.86 0.54 0.00 0.00 0.00 177.39 177.16 1dk4 n ARG 163 N -5.41 0.20 0.03 1.96 1.74 -0.53 0.19 116.66 114.83 1dk4 n ARG 163 Ca 0.22 0.40 0.11 0.00 -0.77 0.00 0.00 57.85 57.81 1dk4 n ARG 163 Cb 0.71 -1.86 -0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1dk4 n ARG 163 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1dk4 n ASN 164 N -2.24 0.59 -0.13 0.55 3.02 0.49 -4.33 115.26 113.21 1dk4 n ASN 164 Ca 0.02 -0.12 -0.25 0.00 -0.03 0.00 0.00 54.58 54.20 1dk4 n ASN 164 Cb 0.25 0.87 -0.11 0.00 -0.61 0.00 0.00 39.78 40.18 1dk4 n ASN 164 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1dk4 n LYS 165 N -2.09 0.62 -2.66 3.52 4.76 -0.36 -4.96 118.16 116.99 1dk4 n LYS 165 Ca 0.01 0.23 -0.41 0.00 -2.87 0.00 0.00 58.31 55.27 1dk4 n LYS 165 Cb 0.46 -1.52 -0.04 0.00 -1.84 0.00 0.00 35.03 32.10 1dk4 n LYS 165 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1dk4 s VAL 166 N -2.51 4.49 -2.21 -0.18 1.01 0.49 -4.87 120.40 116.62 1dk4 s VAL 166 Ca -0.37 1.93 0.20 0.00 0.00 0.00 0.00 61.98 63.75 1dk4 s VAL 166 Cb 0.12 -4.24 0.48 0.00 0.00 0.00 0.00 36.38 32.74 1dk4 s VAL 166 CO 0.54 0.23 1.44 1.17 0.00 0.00 0.00 175.10 178.49 1dk4 n LYS 167 N 3.25 2.31 -3.21 2.72 4.81 -0.65 -4.70 118.16 122.68 1dk4 n LYS 167 Ca 0.04 -2.00 0.04 0.00 -0.87 0.00 0.00 58.31 55.52 1dk4 n LYS 167 Cb 0.49 -1.47 -0.02 0.00 0.02 0.00 0.00 35.03 34.05 1dk4 n LYS 167 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1dk4 s ARG 168 N -1.40 0.23 0.30 1.64 3.52 -1.12 -4.95 118.95 117.18 1dk4 s ARG 168 Ca 0.38 0.46 -0.14 0.00 -0.13 0.00 0.00 55.73 56.31 1dk4 s ARG 168 Cb 0.21 0.27 -0.08 0.00 -1.56 0.00 0.00 34.95 33.78 1dk4 s ARG 168 CO 0.28 -0.20 0.69 0.08 -0.81 0.00 0.00 175.30 175.35 1dk4 s VAL 169 N 2.76 4.74 -0.51 7.11 1.01 -1.26 -1.77 120.40 132.48 1dk4 s VAL 169 Ca 0.00 0.82 0.07 0.00 0.00 0.00 0.00 61.98 62.87 1dk4 s VAL 169 Cb -0.09 -3.62 0.19 0.00 0.00 0.00 0.00 36.38 32.87 1dk4 s VAL 169 CO -0.14 -0.17 0.71 0.54 0.00 0.00 0.00 175.10 176.04 1dk4 n ARG 170 N -0.35 0.53 -2.54 2.72 5.12 -0.38 -4.93 116.66 116.83 1dk4 n ARG 170 Ca 0.03 -2.11 -0.38 0.00 -1.93 0.00 0.00 57.85 53.46 1dk4 n ARG 170 Cb 0.53 -1.48 -0.04 0.00 -1.16 0.00 0.00 32.46 30.30 1dk4 n ARG 170 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1dk4 s ILE 171 N 0.79 3.68 0.03 0.55 1.01 -1.26 -4.28 121.20 121.70 1dk4 s ILE 171 Ca 0.30 1.42 0.00 0.00 0.00 0.00 0.00 60.65 62.38 1dk4 s ILE 171 Cb 0.02 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1dk4 s ILE 171 CO -0.08 0.14 0.00 0.49 0.00 0.00 0.00 174.94 175.50 1dk4 n PHE 172 N 0.41 -0.17 0.00 3.97 0.99 -1.26 -5.07 117.46 116.32 1dk4 n PHE 172 Ca 0.03 0.03 0.00 0.00 -0.00 0.00 0.00 57.45 57.51 1dk4 n PHE 172 Cb 0.48 0.23 0.00 0.00 -1.00 0.00 0.00 39.48 39.19 1dk4 n PHE 172 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1dk4 n GLY 173 N 2.36 1.71 3.07 1.37 0.00 -1.26 -5.01 105.19 107.43 1dk4 n GLY 173 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1dk4 n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dk4 s ALA 174 N -2.00 -1.77 0.07 4.61 0.00 -1.26 -4.32 121.76 117.09 1dk4 s ALA 174 Ca 0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 51.96 51.63 1dk4 s ALA 174 Cb 0.00 -2.51 -0.08 0.00 0.00 0.00 0.00 23.12 20.52 1dk4 s ALA 174 CO 0.00 -2.17 1.35 0.35 0.00 0.00 0.00 175.76 175.29 1dk4 h PHE 175 N 7.08 -1.03 -0.70 0.00 3.04 -1.92 -0.18 116.94 123.24 1dk4 h PHE 175 Ca 0.05 0.04 0.08 0.00 3.98 0.00 0.00 57.97 62.11 1dk4 h PHE 175 Cb 1.14 0.46 -0.09 0.00 2.56 0.00 0.00 35.95 40.02 1dk4 h PHE 175 CO 0.21 -0.35 -0.36 0.41 -2.02 0.00 0.00 178.31 176.20 1dk4 n GLY 176 N -1.28 -1.68 0.23 2.40 0.00 -1.24 0.19 105.19 103.81 1dk4 n GLY 176 Ca -0.04 0.81 0.15 0.00 0.00 0.00 0.00 46.02 46.94 1dk4 n GLY 176 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1dk4 h LEU 177 N 0.00 0.00 -0.06 0.99 5.85 -1.74 -3.04 115.31 117.31 1dk4 h LEU 177 Ca 0.16 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 1dk4 h LEU 177 Cb 0.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1dk4 h LEU 177 CO -0.67 0.00 -0.31 -0.33 -0.34 0.00 0.00 178.44 176.79 1dk4 h GLU 178 N 0.00 0.32 -0.79 1.25 5.08 0.39 -2.74 114.58 118.09 1dk4 h GLU 178 Ca 0.00 -0.26 0.14 0.00 -1.00 0.00 0.00 59.36 58.23 1dk4 h GLU 178 Cb 0.64 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 29.80 1dk4 h GLU 178 CO 0.00 0.91 -0.33 0.52 -1.00 0.00 0.00 179.01 179.11 1dk4 h MET 179 N -0.19 -0.07 0.00 2.33 2.86 -0.58 1.09 114.93 120.37 1dk4 h MET 179 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1dk4 h MET 179 Cb 0.97 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.65 1dk4 h MET 179 CO 0.06 -0.05 0.08 0.00 1.06 0.00 0.00 176.91 178.07 1dk4 n TYR 181 N -2.91 0.00 -0.09 0.00 4.02 0.37 -2.82 117.16 115.74 1dk4 n TYR 181 Ca -0.03 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.64 1dk4 n TYR 181 Cb 0.14 -0.34 -0.12 0.00 -0.02 0.00 0.00 39.34 38.99 1dk4 n TYR 181 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1dk4 n VAL 182 N -1.33 1.59 -0.04 -0.72 0.31 0.20 -1.61 118.33 116.74 1dk4 n VAL 182 Ca 0.10 -0.44 0.02 0.00 -0.01 0.00 0.00 64.34 64.02 1dk4 n VAL 182 Cb 0.30 -1.75 0.36 0.00 -0.91 0.00 0.00 33.84 31.85 1dk4 n VAL 182 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dk4 h ALA 183 N -0.31 1.59 -0.15 3.52 0.00 -1.28 -2.03 119.26 120.61 1dk4 h ALA 183 Ca -0.51 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1dk4 h ALA 183 Cb 1.75 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1dk4 h ALA 183 CO -0.14 0.35 0.00 0.36 0.00 0.00 0.00 179.25 179.82 1dk4 n LYS 184 N -4.43 2.03 -1.98 0.00 2.85 -1.13 -3.27 118.16 112.23 1dk4 n LYS 184 Ca 0.04 -1.52 -0.00 0.00 -1.05 0.00 0.00 58.31 55.77 1dk4 n LYS 184 Cb 0.09 -1.46 0.00 0.00 -0.65 0.00 0.00 35.03 33.01 1dk4 n LYS 184 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1dk4 n GLY 185 N 1.28 -0.61 0.00 2.58 0.00 -0.76 -4.81 105.19 102.87 1dk4 n GLY 185 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1dk4 n GLY 185 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1dk4 n THR 186 N -1.20 0.00 -4.71 2.61 -1.04 -0.63 -4.85 114.28 104.46 1dk4 n THR 186 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 1dk4 n THR 186 Cb 0.48 -0.08 -0.16 0.00 -1.82 0.00 0.00 70.33 68.75 1dk4 n THR 186 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1dk4 s LEU 187 N -1.49 1.79 0.58 -4.42 1.43 -0.94 -4.87 118.68 110.75 1dk4 s LEU 187 Ca 0.00 -0.33 0.36 0.00 -1.03 0.00 0.00 54.13 53.13 1dk4 s LEU 187 Cb 0.00 -0.90 1.69 0.00 0.03 0.00 0.00 46.19 47.01 1dk4 s LEU 187 CO 0.00 0.09 2.11 0.44 0.23 0.00 0.00 176.35 179.21 1dk4 h ASP 188 N 6.66 0.00 -5.30 2.29 5.19 -1.43 -3.42 116.42 120.41 1dk4 h ASP 188 Ca -0.30 0.00 0.25 0.00 -0.62 0.00 0.00 57.03 56.35 1dk4 h ASP 188 Cb 1.19 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.58 1dk4 h ASP 188 CO 0.48 0.01 0.68 0.00 -3.12 0.00 0.00 179.24 177.29 1dk4 s ALA 189 N -3.85 -1.98 -0.30 3.45 0.00 -1.24 -1.70 121.76 116.14 1dk4 s ALA 189 Ca -0.01 0.66 -0.06 0.00 0.00 0.00 0.00 51.96 52.56 1dk4 s ALA 189 Cb 0.10 0.39 0.17 0.00 0.00 0.00 0.00 23.12 23.79 1dk4 s ALA 189 CO 0.51 -0.95 0.67 0.54 0.00 0.00 0.00 175.76 176.53 1dk4 s VAL 190 N -2.78 -0.92 0.00 0.00 0.11 -0.86 -2.97 120.40 112.98 1dk4 s VAL 190 Ca 0.12 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1dk4 s VAL 190 Cb 0.01 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 1dk4 s VAL 190 CO -0.02 0.00 0.00 2.22 -3.33 0.00 0.00 175.10 173.97 1dk4 n PHE 191 N 5.41 -0.01 0.00 1.54 -1.74 -1.24 -2.10 117.46 119.33 1dk4 n PHE 191 Ca -0.06 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.83 1dk4 n PHE 191 Cb 0.51 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.51 1dk4 n PHE 191 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 1dk4 n ASP 192 N -0.17 0.00 -0.55 5.98 -0.08 -0.61 -3.81 116.55 117.32 1dk4 n ASP 192 Ca 0.00 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.42 1dk4 n ASP 192 Cb 0.00 0.00 0.43 0.00 2.34 0.00 0.00 41.12 43.89 1dk4 n ASP 192 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1dk4 n VAL 193 N 0.00 0.00 -3.01 5.18 3.14 -1.24 -3.24 118.33 119.15 1dk4 n VAL 193 Ca 0.00 -0.29 -0.44 0.00 -2.96 0.00 0.00 64.34 60.65 1dk4 n VAL 193 Cb 0.00 0.68 -0.04 0.00 -1.06 0.00 0.00 33.84 33.42 1dk4 n VAL 193 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1dk4 s ARG 194 N -2.04 3.17 -0.85 1.45 1.70 -1.14 -4.56 118.95 116.68 1dk4 s ARG 194 Ca 0.35 -1.27 -0.21 0.00 -0.47 0.00 0.00 55.73 54.13 1dk4 s ARG 194 Cb 0.21 -4.35 -0.20 0.00 -0.57 0.00 0.00 34.95 30.03 1dk4 s ARG 194 CO 0.34 -1.66 2.34 -0.35 -1.08 0.00 0.00 175.30 174.90 1dk4 n PRO 195 N 6.71 0.38 0.00 3.89 -0.04 -1.26 -4.17 135.00 140.51 1dk4 n PRO 195 Ca -0.02 -0.52 0.00 0.00 -0.04 0.00 0.00 63.50 62.92 1dk4 n PRO 195 Cb 0.44 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 1dk4 n PRO 195 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1dk4 n LYS 196 N 7.73 0.00 -1.68 0.54 4.76 -1.26 -4.67 118.16 123.57 1dk4 n LYS 196 Ca 0.54 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.56 1dk4 n LYS 196 Cb 0.33 -0.27 -0.00 0.00 -1.84 0.00 0.00 35.03 33.25 1dk4 n LYS 196 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1dk4 n VAL 197 N -2.23 2.18 -4.10 -0.18 3.14 -1.26 -4.67 118.33 111.21 1dk4 n VAL 197 Ca 0.00 -0.50 -0.26 0.00 -2.96 0.00 0.00 64.34 60.62 1dk4 n VAL 197 Cb 0.08 -1.48 -0.02 0.00 -1.06 0.00 0.00 33.84 31.36 1dk4 n VAL 197 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1dk4 n ARG 198 N 0.40 0.76 0.03 1.45 1.74 -1.26 -1.51 116.66 118.26 1dk4 n ARG 198 Ca 0.06 -3.31 -0.03 0.00 -0.77 0.00 0.00 57.85 53.80 1dk4 n ARG 198 Cb 0.37 0.51 -0.02 0.00 -1.02 0.00 0.00 32.46 32.30 1dk4 n ARG 198 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1dk4 h ALA 199 N 0.84 -0.66 -1.35 7.54 0.00 -1.79 -2.91 119.26 120.93 1dk4 h ALA 199 Ca -0.35 -0.02 0.44 0.00 0.00 0.00 0.00 54.91 54.98 1dk4 h ALA 199 Cb 1.20 0.50 -0.12 0.00 0.00 0.00 0.00 17.79 19.37 1dk4 h ALA 199 CO 0.55 -0.68 0.88 -0.39 0.00 0.00 0.00 179.25 179.62 1dk4 h VAL 200 N -0.14 0.14 -0.41 0.00 -1.51 -1.92 -0.84 116.25 111.57 1dk4 h VAL 200 Ca -0.00 -0.03 -0.08 0.00 -1.23 0.00 0.00 66.70 65.36 1dk4 h VAL 200 Cb 0.14 0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 29.33 1dk4 h VAL 200 CO -0.05 0.02 -0.07 0.44 -1.23 0.00 0.00 177.57 176.68 1dk4 h ASP 201 N 0.09 0.76 0.02 4.19 3.32 -1.90 -3.36 116.42 119.54 1dk4 h ASP 201 Ca 0.81 -0.35 -0.37 0.00 0.02 0.00 0.00 57.03 57.15 1dk4 h ASP 201 Cb 2.61 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 41.89 1dk4 h ASP 201 CO -0.37 0.93 -2.37 2.30 -1.72 0.00 0.00 179.24 178.01 1dk4 n ILE 202 N -4.36 1.41 0.00 0.35 -6.64 -0.40 -3.70 119.36 106.03 1dk4 n ILE 202 Ca -0.01 -0.83 0.00 0.00 -1.77 0.00 0.00 62.75 60.14 1dk4 n ILE 202 Cb 0.34 -0.59 0.00 0.00 -1.44 0.00 0.00 39.64 37.95 1dk4 n ILE 202 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1dk4 n ALA 203 N -2.79 0.00 -0.31 -1.28 0.00 -0.74 0.18 120.51 115.57 1dk4 n ALA 203 Ca -0.34 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.21 1dk4 n ALA 203 Cb 1.14 0.14 0.34 0.00 0.00 0.00 0.00 19.45 21.06 1dk4 n ALA 203 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1dk4 h SER 204 N 0.00 0.74 1.16 0.00 4.64 -1.82 -1.38 113.55 116.89 1dk4 h SER 204 Ca 0.00 0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.24 1dk4 h SER 204 Cb 0.00 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 1dk4 h SER 204 CO 0.00 0.37 -0.88 0.28 -0.87 0.00 0.00 176.83 175.72 1dk4 h SER 205 N 0.78 0.00 -0.77 4.97 0.02 -0.08 -3.26 113.55 115.20 1dk4 h SER 205 Ca 0.48 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.59 1dk4 h SER 205 Cb 0.69 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.09 1dk4 h SER 205 CO -0.24 0.54 -0.18 0.22 -1.14 0.00 0.00 176.83 176.02 1dk4 h TYR 206 N 0.00 -0.39 0.00 3.45 3.20 0.30 0.12 116.97 123.65 1dk4 h TYR 206 Ca -0.07 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1dk4 h TYR 206 Cb 1.47 0.29 0.00 0.00 1.54 0.00 0.00 36.73 40.03 1dk4 h TYR 206 CO 0.00 -0.33 0.00 -0.89 -1.64 0.00 0.00 178.16 175.30 1dk4 n ILE 207 N -5.50 0.00 0.00 1.81 5.41 -1.13 -2.78 119.36 117.17 1dk4 n ILE 207 Ca 0.11 0.47 0.00 0.00 1.00 0.00 0.00 62.75 64.33 1dk4 n ILE 207 Cb 0.40 -1.37 0.00 0.00 -0.71 0.00 0.00 39.64 37.96 1dk4 n ILE 207 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1dk4 n ILE 208 N 0.00 0.00 -0.12 1.39 -0.00 -1.16 0.18 119.36 119.65 1dk4 n ILE 208 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.66 1dk4 n ILE 208 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 39.58 1dk4 n ILE 208 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1dk4 h LYS 210 N -0.22 0.36 0.00 0.00 1.57 0.22 0.50 116.57 119.00 1dk4 h LYS 210 Ca 0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1dk4 h LYS 210 Cb 0.37 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1dk4 h LYS 210 CO -0.42 0.24 0.00 0.39 -0.57 0.00 0.00 179.45 179.09 1dk4 n GLU 211 N -5.06 0.66 -0.07 3.15 -0.58 -0.74 -2.54 120.64 115.46 1dk4 n GLU 211 Ca 0.23 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 57.00 1dk4 n GLU 211 Cb 0.70 -1.45 0.03 0.00 -0.57 0.00 0.00 31.44 30.15 1dk4 n GLU 211 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1dk4 n ALA 212 N -0.95 1.86 0.00 0.62 0.00 0.17 -3.80 120.51 118.40 1dk4 n ALA 212 Ca 0.14 -1.29 0.00 0.00 0.00 0.00 0.00 53.44 52.29 1dk4 n ALA 212 Cb 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1dk4 n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dk4 n GLY 213 N -0.57 0.89 3.67 0.00 0.00 -1.05 0.63 105.19 108.75 1dk4 n GLY 213 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1dk4 n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dk4 n ALA 214 N -0.91 0.91 -2.55 4.61 0.00 -0.93 -4.76 120.51 116.88 1dk4 n ALA 214 Ca 0.00 0.18 -0.36 0.00 0.00 0.00 0.00 53.44 53.26 1dk4 n ALA 214 Cb 0.00 -2.22 0.01 0.00 0.00 0.00 0.00 19.45 17.24 1dk4 n ALA 214 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1dk4 n LEU 215 N -0.16 6.35 -4.52 0.00 4.77 0.46 -4.67 117.00 119.23 1dk4 n LEU 215 Ca 0.09 -5.33 -0.38 0.00 -0.03 0.00 0.00 56.01 50.36 1dk4 n LEU 215 Cb 0.42 -0.91 -0.11 0.00 -2.33 0.00 0.00 43.42 40.49 1dk4 n LEU 215 CO 0.56 2.09 2.13 -0.38 -1.33 0.00 0.00 177.39 180.46 1dk4 n ILE 216 N -0.26 -0.03 -4.69 -0.08 5.41 -1.26 -3.70 119.36 114.75 1dk4 n ILE 216 Ca 0.43 -0.32 -0.33 0.00 1.00 0.00 0.00 62.75 63.53 1dk4 n ILE 216 Cb 0.34 -1.33 -0.12 0.00 -0.71 0.00 0.00 39.64 37.82 1dk4 n ILE 216 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1dk4 s THR 217 N 9.93 3.53 1.00 1.39 2.01 -1.23 -0.53 115.64 131.74 1dk4 s THR 217 Ca 1.21 -0.56 -0.17 0.00 0.31 0.00 0.00 61.69 62.49 1dk4 s THR 217 Cb -0.83 -2.43 0.23 0.00 0.01 0.00 0.00 72.50 69.47 1dk4 s THR 217 CO 0.40 0.59 1.35 1.51 -0.69 0.00 0.00 174.62 177.78 1dk4 s ASP 218 N -0.82 2.78 0.24 3.53 3.84 0.28 0.17 116.67 126.68 1dk4 s ASP 218 Ca 0.12 0.17 -0.06 0.00 -0.00 0.00 0.00 52.55 52.79 1dk4 s ASP 218 Cb -0.11 -0.13 0.42 0.00 -1.38 0.00 0.00 42.92 41.72 1dk4 s ASP 218 CO 0.01 -2.93 1.71 1.05 -0.00 0.00 0.00 175.17 175.01 1dk4 h GLU 219 N -1.78 0.34 0.00 2.11 4.11 -1.86 -3.30 114.58 114.20 1dk4 h GLU 219 Ca -0.44 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1dk4 h GLU 219 Cb 1.22 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1dk4 h GLU 219 CO 0.32 0.23 0.00 0.09 0.07 0.00 0.00 179.01 179.72 1dk4 n ASN 220 N -5.07 0.00 0.00 3.06 3.02 -1.26 -4.95 115.26 110.05 1dk4 n ASN 220 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1dk4 n ASN 220 Cb 0.41 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 1dk4 n ASN 220 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dk4 n GLY 221 N 1.13 0.82 3.79 7.41 0.00 -1.24 -4.94 105.19 112.16 1dk4 n GLY 221 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1dk4 n GLY 221 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dk4 s ASP 222 N 0.00 5.95 -0.31 1.61 1.01 -1.26 -4.61 116.67 119.07 1dk4 s ASP 222 Ca 0.00 2.01 -0.38 0.00 0.71 0.00 0.00 52.55 54.88 1dk4 s ASP 222 Cb 0.00 -2.56 -0.14 0.00 1.01 0.00 0.00 42.92 41.22 1dk4 s ASP 222 CO 0.00 -1.05 1.93 -0.62 0.21 0.00 0.00 175.17 175.63 1dk4 n GLU 223 N -1.33 1.12 -1.54 8.23 -0.58 -1.26 0.98 120.64 126.25 1dk4 n GLU 223 Ca 0.10 0.38 -0.43 0.00 -0.42 0.00 0.00 57.16 56.79 1dk4 n GLU 223 Cb 0.52 -2.21 -0.05 0.00 -0.57 0.00 0.00 31.44 29.13 1dk4 n GLU 223 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1dk4 n LEU 224 N 7.05 2.59 -4.89 -4.62 7.94 0.31 -4.58 117.00 120.79 1dk4 n LEU 224 Ca 0.33 0.09 -0.34 0.00 -1.11 0.00 0.00 56.01 54.98 1dk4 n LEU 224 Cb 0.16 -1.45 -0.05 0.00 0.53 0.00 0.00 43.42 42.60 1dk4 n LEU 224 CO 0.80 -0.91 -0.12 -0.54 -1.11 0.00 0.00 177.39 175.50 1dk4 s LYS 225 N 6.90 3.49 0.23 1.96 1.02 -1.26 -4.89 119.74 127.19 1dk4 s LYS 225 Ca 1.04 -0.21 -0.06 0.00 0.02 0.00 0.00 55.97 56.76 1dk4 s LYS 225 Cb -0.48 -3.10 -0.02 0.00 -0.52 0.00 0.00 37.83 33.70 1dk4 s LYS 225 CO 0.38 0.68 0.30 -0.59 -0.92 0.00 0.00 175.35 175.19 1dk4 s PHE 226 N -1.29 0.84 0.21 3.18 -0.12 -1.26 -5.07 117.98 114.47 1dk4 s PHE 226 Ca 0.26 -1.11 0.01 0.00 -0.05 0.00 0.00 56.93 56.04 1dk4 s PHE 226 Cb -0.13 -0.22 0.04 0.00 -0.63 0.00 0.00 43.02 42.08 1dk4 s PHE 226 CO 0.16 -0.83 0.29 -3.47 -0.05 0.00 0.00 175.22 171.32 1dk4 n ASP 227 N -0.42 0.48 -2.82 1.98 4.64 -1.26 -5.09 116.55 114.06 1dk4 n ASP 227 Ca 0.01 -1.38 -0.18 0.00 -1.38 0.00 0.00 54.79 51.86 1dk4 n ASP 227 Cb 0.64 -0.18 -0.00 0.00 -1.04 0.00 0.00 41.12 40.54 1dk4 n ASP 227 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 1dk4 n LEU 228 N 0.00 2.34 -4.92 -2.67 4.77 -1.26 -4.90 117.00 110.36 1dk4 n LEU 228 Ca 0.05 -4.66 -0.24 0.00 -0.03 0.00 0.00 56.01 51.14 1dk4 n LEU 228 Cb 0.18 0.20 -0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1dk4 n LEU 228 CO 0.12 2.01 0.08 0.54 -1.33 0.00 0.00 177.39 178.82 1dk4 s ASN 229 N -3.06 4.81 0.29 -1.43 6.03 -1.26 -4.97 114.94 115.36 1dk4 s ASN 229 Ca 0.38 -1.05 0.22 0.00 -1.03 0.00 0.00 52.86 51.38 1dk4 s ASN 229 Cb 0.39 0.13 0.13 0.00 -3.03 0.00 0.00 41.25 38.87 1dk4 s ASN 229 CO -0.06 -1.02 1.27 0.00 -2.03 0.00 0.00 177.10 175.26 1dk4 h ALA 230 N 0.74 0.71 -3.00 3.54 0.00 -1.90 -3.40 119.26 115.94 1dk4 h ALA 230 Ca -0.37 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1dk4 h ALA 230 Cb 1.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1dk4 h ALA 230 CO 0.55 0.05 0.00 2.41 0.00 0.00 0.00 179.25 182.26 1dk4 n THR 231 N -2.87 0.00 -2.30 0.00 -1.04 -1.26 -4.40 114.28 102.42 1dk4 n THR 231 Ca 0.01 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.00 1dk4 n THR 231 Cb 0.56 -0.95 -0.02 0.00 -1.82 0.00 0.00 70.33 68.10 1dk4 n THR 231 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1dk4 n ASP 232 N 0.00 -3.14 -3.75 8.00 10.43 -1.26 -4.49 116.55 122.34 1dk4 n ASP 232 Ca 0.00 0.97 -0.30 0.00 2.57 0.00 0.00 54.79 58.02 1dk4 n ASP 232 Cb 0.00 -4.00 0.24 0.00 1.84 0.00 0.00 41.12 39.20 1dk4 n ASP 232 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1dk4 s ARG 233 N -0.93 -0.87 -0.21 -1.24 0.52 -1.26 -4.21 118.95 110.74 1dk4 s ARG 233 Ca -0.12 -0.31 -0.30 0.00 -0.52 0.00 0.00 55.73 54.48 1dk4 s ARG 233 Cb 0.01 -1.66 0.15 0.00 0.52 0.00 0.00 34.95 33.97 1dk4 s ARG 233 CO 0.55 -3.44 1.16 -0.48 0.02 0.00 0.00 175.30 173.11 1dk4 s LEU 234 N -6.65 -0.22 1.09 2.53 0.05 -0.57 -4.95 118.68 109.96 1dk4 s LEU 234 Ca 0.74 0.23 -0.18 0.00 0.05 0.00 0.00 54.13 54.97 1dk4 s LEU 234 Cb -0.06 1.52 0.24 0.00 -2.05 0.00 0.00 46.19 45.85 1dk4 s LEU 234 CO 0.55 -0.21 1.20 0.20 -0.55 0.00 0.00 176.35 177.54 1dk4 s ASN 235 N -1.14 1.94 0.00 1.48 -0.87 -1.26 -4.28 114.94 110.82 1dk4 s ASN 235 Ca 0.03 0.48 0.00 0.00 -1.57 0.00 0.00 52.86 51.80 1dk4 s ASN 235 Cb -0.01 -0.65 0.00 0.00 -0.02 0.00 0.00 41.25 40.58 1dk4 s ASN 235 CO -0.03 -3.48 0.00 0.00 -2.57 0.00 0.00 177.10 171.03 1dk4 n ILE 236 N -4.30 0.00 -3.18 0.60 3.06 -1.20 -4.77 119.36 109.57 1dk4 n ILE 236 Ca 0.14 0.00 -0.22 0.00 -2.50 0.00 0.00 62.75 60.17 1dk4 n ILE 236 Cb 0.59 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.73 1dk4 n ILE 236 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 1dk4 n ILE 237 N -0.35 0.39 -1.56 9.51 2.08 0.46 -1.57 119.36 128.32 1dk4 n ILE 237 Ca 0.00 -4.61 -0.41 0.00 0.56 0.00 0.00 62.75 58.29 1dk4 n ILE 237 Cb 0.00 -1.15 -0.04 0.00 -0.75 0.00 0.00 39.64 37.70 1dk4 n ILE 237 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1dk4 n VAL 238 N 0.62 0.13 -4.25 1.39 0.31 -0.89 -3.54 118.33 112.09 1dk4 n VAL 238 Ca 0.25 -0.57 -0.26 0.00 -0.01 0.00 0.00 64.34 63.75 1dk4 n VAL 238 Cb 0.55 -2.50 -0.08 0.00 -0.91 0.00 0.00 33.84 30.90 1dk4 n VAL 238 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dk4 s ALA 239 N 9.96 3.12 -2.50 3.52 0.00 -1.24 -2.02 121.76 132.59 1dk4 s ALA 239 Ca 1.02 -1.48 0.23 0.00 0.00 0.00 0.00 51.96 51.73 1dk4 s ALA 239 Cb -0.35 -0.86 0.48 0.00 0.00 0.00 0.00 23.12 22.39 1dk4 s ALA 239 CO 0.33 0.42 1.42 0.27 0.00 0.00 0.00 175.76 178.20 1dk4 n ASN 240 N -0.29 2.99 -3.61 0.00 6.94 -0.69 -0.40 115.26 120.19 1dk4 n ASN 240 Ca -0.09 -1.93 -0.00 0.00 -0.02 0.00 0.00 54.58 52.54 1dk4 n ASN 240 Cb 0.56 -0.18 -0.01 0.00 -2.36 0.00 0.00 39.78 37.79 1dk4 n ASN 240 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1dk4 s SER 241 N -1.58 -0.07 0.00 0.53 1.04 -1.26 -4.63 113.70 107.73 1dk4 s SER 241 Ca 0.36 -0.08 0.30 0.00 0.48 0.00 0.00 55.95 57.01 1dk4 s SER 241 Cb 0.21 0.14 1.39 0.00 0.10 0.00 0.00 66.02 67.86 1dk4 s SER 241 CO 0.30 -0.24 1.98 1.17 0.98 0.00 0.00 173.24 177.43 1dk4 n LYS 242 N -0.35 0.34 -0.12 4.02 0.00 -1.26 -2.92 118.16 117.87 1dk4 n LYS 242 Ca -0.05 -0.03 -0.26 0.00 0.00 0.00 0.00 58.31 57.97 1dk4 n LYS 242 Cb 0.61 -1.50 -0.11 0.00 0.00 0.00 0.00 35.03 34.04 1dk4 n LYS 242 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1dk4 n GLU 243 N -1.30 0.59 -0.28 1.64 4.71 -1.26 -3.96 120.64 120.77 1dk4 n GLU 243 Ca 0.12 0.38 0.23 0.00 -0.01 0.00 0.00 57.16 57.89 1dk4 n GLU 243 Cb 0.27 -1.60 0.55 0.00 -1.01 0.00 0.00 31.44 29.65 1dk4 n GLU 243 CO 0.00 0.00 0.00 1.98 0.09 0.00 0.00 177.13 179.20 1dk4 h MET 244 N -0.94 0.32 0.38 3.49 4.05 -1.95 0.79 114.93 121.08 1dk4 h MET 244 Ca -0.56 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 58.83 1dk4 h MET 244 Cb 1.51 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 32.25 1dk4 h MET 244 CO -0.32 0.21 -0.18 1.25 0.23 0.00 0.00 176.91 178.10 1dk4 h LEU 245 N 0.33 -0.44 -0.39 3.39 5.85 -1.73 -3.15 115.31 119.18 1dk4 h LEU 245 Ca 0.54 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 59.33 1dk4 h LEU 245 Cb 1.48 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 42.54 1dk4 h LEU 245 CO -0.20 -0.29 -0.35 0.44 -0.34 0.00 0.00 178.44 177.70 1dk4 h ASP 246 N -0.54 -1.16 -0.81 1.25 3.45 0.43 0.80 116.42 119.85 1dk4 h ASP 246 Ca -0.05 0.20 0.20 0.00 0.43 0.00 0.00 57.03 57.80 1dk4 h ASP 246 Cb 0.41 0.53 -0.13 0.00 -0.56 0.00 0.00 39.33 39.58 1dk4 h ASP 246 CO 0.09 -0.33 0.15 0.40 -1.57 0.00 0.00 179.24 177.97 1dk4 h ILE 247 N -0.28 0.37 -0.66 0.35 1.08 -1.28 1.62 117.51 118.71 1dk4 h ILE 247 Ca 0.16 -0.07 -0.04 0.00 -0.39 0.00 0.00 64.86 64.53 1dk4 h ILE 247 Cb 0.55 0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 34.43 1dk4 h ILE 247 CO -0.54 0.04 0.25 0.40 -0.69 0.00 0.00 178.15 177.60 1dk4 h ILE 248 N 0.19 1.23 -0.40 -0.67 5.03 -1.02 -0.11 117.51 121.77 1dk4 h ILE 248 Ca 0.48 -0.74 -0.07 0.00 -0.12 0.00 0.00 64.86 64.40 1dk4 h ILE 248 Cb 0.89 0.46 -0.02 0.00 -3.03 0.00 0.00 36.82 35.12 1dk4 h ILE 248 CO -0.62 0.30 -0.04 -0.07 -0.68 0.00 0.00 178.15 177.03 1dk4 h LEU 249 N 0.95 0.63 -0.09 1.44 3.38 0.42 0.94 115.31 122.98 1dk4 h LEU 249 Ca 0.22 -0.15 -0.24 0.00 0.09 0.00 0.00 57.88 57.80 1dk4 h LEU 249 Cb 0.20 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1dk4 h LEU 249 CO -0.02 0.73 -0.92 -0.78 0.09 0.00 0.00 178.44 177.54 1dk4 h ASP 250 N 0.62 0.88 -0.32 -0.43 -0.00 0.73 -3.21 116.42 114.70 1dk4 h ASP 250 Ca 0.12 -0.65 -0.05 0.00 -0.00 0.00 0.00 57.03 56.45 1dk4 h ASP 250 Cb 0.44 -0.27 -0.01 0.00 -0.00 0.00 0.00 39.33 39.50 1dk4 h ASP 250 CO 0.02 1.45 0.02 -0.07 -0.00 0.00 0.00 179.24 180.66 1dk4 h LEU 251 N 0.44 0.53 0.00 2.28 -0.00 -0.69 -3.50 115.31 114.38 1dk4 h LEU 251 Ca -0.09 -0.29 0.00 0.00 -0.00 0.00 0.00 57.88 57.50 1dk4 h LEU 251 Cb 1.56 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 42.08 1dk4 h LEU 251 CO 0.18 0.69 0.00 0.18 -0.00 0.00 0.00 178.44 179.50