#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4j s GLN 8 N 0.00 1.75 -0.20 0.38 -2.07 -1.26 -4.96 119.66 113.31 1m4j s GLN 8 Ca 0.00 -1.70 -0.11 0.00 -1.82 0.00 0.00 55.36 51.73 1m4j s GLN 8 Cb 0.00 0.41 -0.05 0.00 -1.09 0.00 0.00 33.01 32.28 1m4j s GLN 8 CO 0.00 -0.70 0.16 0.00 -1.32 0.00 0.00 175.29 173.43 1m4j s ALA 9 N -3.37 3.66 1.00 2.60 0.00 -1.26 -1.89 121.76 122.49 1m4j s ALA 9 Ca 0.32 -0.68 -0.12 0.00 0.00 0.00 0.00 51.96 51.47 1m4j s ALA 9 Cb 0.01 -2.24 0.19 0.00 0.00 0.00 0.00 23.12 21.08 1m4j s ALA 9 CO 0.19 0.09 1.08 -1.54 0.00 0.00 0.00 175.76 175.58 1m4j s SER 10 N 0.49 2.57 0.45 0.00 1.04 -1.26 -4.77 113.70 112.22 1m4j s SER 10 Ca 0.09 1.35 0.24 0.00 0.48 0.00 0.00 55.95 58.11 1m4j s SER 10 Cb -0.12 -2.03 1.01 0.00 0.10 0.00 0.00 66.02 64.99 1m4j s SER 10 CO 0.00 -3.19 1.87 -0.33 0.98 0.00 0.00 173.24 172.57 1m4j h GLU 11 N -1.93 0.00 -0.60 4.02 4.39 -1.98 -0.77 114.58 117.71 1m4j h GLU 11 Ca -0.54 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.11 1m4j h GLU 11 Cb 1.32 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.94 1m4j h GLU 11 CO 0.55 0.22 0.19 -0.44 -1.16 0.00 0.00 179.01 178.37 1m4j h ASP 12 N 0.00 0.87 -0.30 1.42 3.32 -2.00 -1.67 116.42 118.06 1m4j h ASP 12 Ca -0.00 -0.21 -0.13 0.00 0.02 0.00 0.00 57.03 56.71 1m4j h ASP 12 Cb 0.67 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1m4j h ASP 12 CO 0.03 0.84 -0.30 0.58 -1.72 0.00 0.00 179.24 178.68 1m4j h VAL 13 N 0.85 1.28 0.00 -1.35 2.07 -1.70 -2.84 116.25 114.55 1m4j h VAL 13 Ca 0.19 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 1m4j h VAL 13 Cb 0.28 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1m4j h VAL 13 CO -0.01 0.48 -0.10 0.11 0.02 0.00 0.00 177.57 178.07 1m4j h LYS 14 N 0.69 0.00 -0.21 1.57 1.57 -0.87 -0.11 116.57 119.22 1m4j h LYS 14 Ca 0.08 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.66 1m4j h LYS 14 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1m4j h LYS 14 CO 0.07 0.10 -0.65 1.49 -0.57 0.00 0.00 179.45 179.89 1m4j h GLU 15 N 0.00 0.77 -0.37 3.15 4.81 -1.08 -1.74 114.58 120.11 1m4j h GLU 15 Ca -0.00 -0.55 -0.11 0.00 -0.13 0.00 0.00 59.36 58.57 1m4j h GLU 15 Cb 0.49 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1m4j h GLU 15 CO 0.01 1.17 -0.22 0.82 -0.73 0.00 0.00 179.01 180.06 1m4j h ILE 16 N 0.56 1.27 -0.44 2.32 2.04 -1.21 -1.37 117.51 120.68 1m4j h ILE 16 Ca -0.02 -1.31 0.01 0.00 1.00 0.00 0.00 64.86 64.54 1m4j h ILE 16 Cb 1.26 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 1m4j h ILE 16 CO 0.13 0.44 0.28 -0.26 0.00 0.00 0.00 178.15 178.74 1m4j h PHE 17 N 0.64 0.53 -0.44 1.37 0.05 -0.82 0.26 116.94 118.52 1m4j h PHE 17 Ca 0.09 0.01 -0.04 0.00 3.82 0.00 0.00 57.97 61.86 1m4j h PHE 17 Cb 0.71 -0.17 -0.02 0.00 2.00 0.00 0.00 35.95 38.47 1m4j h PHE 17 CO 0.03 0.32 0.12 0.00 -0.18 0.00 0.00 178.31 178.61 1m4j h ALA 18 N 1.18 0.58 -0.96 2.45 0.00 -1.07 -0.58 119.26 120.86 1m4j h ALA 18 Ca 0.17 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1m4j h ALA 18 Cb -0.04 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 1m4j h ALA 18 CO -0.05 0.25 0.62 0.00 0.00 0.00 0.00 179.25 180.07 1m4j h ARG 19 N 0.58 1.27 -0.18 0.00 3.08 -0.91 -0.23 114.38 118.00 1m4j h ARG 19 Ca 0.14 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1m4j h ARG 19 Cb 0.29 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1m4j h ARG 19 CO -0.00 0.86 0.05 0.00 -1.07 0.00 0.00 179.97 179.80 1m4j h ALA 20 N 1.34 0.24 0.00 0.04 0.00 -0.59 -1.94 119.26 118.35 1m4j h ALA 20 Ca 0.35 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1m4j h ALA 20 Cb -0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1m4j h ALA 20 CO -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 179.25 179.05 1m4j h ARG 21 N 0.10 0.00 0.00 0.00 3.08 -0.86 0.94 114.38 117.64 1m4j h ARG 21 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1m4j h ARG 21 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1m4j h ARG 21 CO 0.00 0.01 0.00 -1.71 -1.07 0.00 0.00 179.97 177.20 1m4j n ASN 22 N -3.10 0.42 0.00 7.04 2.85 -0.12 -4.57 115.26 117.79 1m4j n ASN 22 Ca -0.00 0.57 0.00 0.00 -0.11 0.00 0.00 54.58 55.04 1m4j n ASN 22 Cb 0.25 -0.67 0.00 0.00 1.24 0.00 0.00 39.78 40.60 1m4j n ASN 22 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1m4j n GLY 23 N 0.69 0.50 0.26 8.20 0.00 0.32 -4.97 105.19 110.20 1m4j n GLY 23 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 1m4j n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1m4j h LYS 24 N 3.96 0.00 -5.89 1.61 1.57 -1.46 -3.43 116.57 112.93 1m4j h LYS 24 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 1m4j h LYS 24 Cb 0.00 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.06 1m4j h LYS 24 CO 0.00 0.11 -0.83 0.71 -0.57 0.00 0.00 179.45 178.88 1m4j s TYR 25 N -4.06 1.65 0.02 -1.35 1.51 -1.26 -4.30 117.35 109.56 1m4j s TYR 25 Ca -0.02 -0.38 0.05 0.00 -1.01 0.00 0.00 57.07 55.72 1m4j s TYR 25 Cb 0.12 -0.97 -0.24 0.00 -0.11 0.00 0.00 41.96 40.76 1m4j s TYR 25 CO 0.57 0.09 0.90 -0.09 -1.11 0.00 0.00 175.55 175.92 1m4j h ARG 26 N 4.76 0.09 -3.10 -0.62 9.65 0.39 -3.44 114.38 122.11 1m4j h ARG 26 Ca -0.42 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.31 1m4j h ARG 26 Cb 1.17 0.06 -0.10 0.00 -1.39 0.00 0.00 29.97 29.70 1m4j h ARG 26 CO 0.43 0.86 0.15 -0.48 2.80 0.00 0.00 179.97 183.73 1m4j s LEU 27 N -6.59 -0.29 -0.01 3.80 2.34 -1.21 -0.06 118.68 116.68 1m4j s LEU 27 Ca -0.05 -0.25 0.01 0.00 0.06 0.00 0.00 54.13 53.91 1m4j s LEU 27 Cb 0.08 2.46 -0.00 0.00 -0.56 0.00 0.00 46.19 48.17 1m4j s LEU 27 CO 0.83 -1.05 -0.04 -0.76 -1.06 0.00 0.00 176.35 174.28 1m4j s LEU 28 N -2.81 1.94 -0.19 1.48 1.43 -0.25 -2.97 118.68 117.30 1m4j s LEU 28 Ca 0.05 -0.07 -0.08 0.00 -1.03 0.00 0.00 54.13 53.00 1m4j s LEU 28 Cb -0.02 -0.20 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 1m4j s LEU 28 CO -0.07 0.04 0.08 -0.75 0.23 0.00 0.00 176.35 175.87 1m4j s LYS 29 N 0.00 4.01 -0.07 1.70 2.20 -0.21 -0.84 119.74 126.53 1m4j s LYS 29 Ca 0.00 -0.32 0.05 0.00 -0.36 0.00 0.00 55.97 55.34 1m4j s LYS 29 Cb -0.03 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 33.02 1m4j s LYS 29 CO -0.00 0.25 -0.24 0.42 -0.36 0.00 0.00 175.35 175.42 1m4j s ILE 30 N 0.44 2.18 0.29 5.43 -1.09 0.29 0.36 121.20 129.10 1m4j s ILE 30 Ca 0.04 -1.02 0.05 0.00 -2.23 0.00 0.00 60.65 57.49 1m4j s ILE 30 Cb -0.12 -1.80 -0.06 0.00 -1.58 0.00 0.00 42.46 38.89 1m4j s ILE 30 CO 0.00 0.57 0.01 -0.44 -1.23 0.00 0.00 174.94 173.85 1m4j s SER 31 N -0.11 2.40 -0.27 3.58 0.01 0.01 -1.00 113.70 118.31 1m4j s SER 31 Ca -0.05 -1.29 -0.05 0.00 1.31 0.00 0.00 55.95 55.87 1m4j s SER 31 Cb -0.14 -0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.00 1m4j s SER 31 CO 0.04 -0.51 0.03 -0.63 0.41 0.00 0.00 173.24 172.58 1m4j s ILE 32 N -3.23 3.62 -0.14 1.44 1.01 -1.26 -0.72 121.20 121.92 1m4j s ILE 32 Ca 0.33 -0.72 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 1m4j s ILE 32 Cb 0.07 -2.82 0.04 0.00 0.01 0.00 0.00 42.46 39.75 1m4j s ILE 32 CO 0.13 0.17 -0.05 -1.61 0.00 0.00 0.00 174.94 173.59 1m4j s GLU 33 N 1.46 1.32 -1.17 2.79 2.02 -0.16 -4.84 118.70 120.12 1m4j s GLU 33 Ca 0.03 -0.37 -0.11 0.00 0.02 0.00 0.00 54.97 54.54 1m4j s GLU 33 Cb -0.16 -1.79 -0.02 0.00 0.10 0.00 0.00 34.13 32.25 1m4j s GLU 33 CO -0.00 -0.39 0.80 0.09 0.02 0.00 0.00 175.26 175.78 1m4j n ASN 34 N 4.93 -4.42 -3.92 -0.19 3.02 -1.26 -2.43 115.26 111.00 1m4j n ASN 34 Ca -0.11 -0.88 -0.29 0.00 -0.03 0.00 0.00 54.58 53.27 1m4j n ASN 34 Cb 0.49 -4.07 0.02 0.00 -0.61 0.00 0.00 39.78 35.60 1m4j n ASN 34 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1m4j n GLU 35 N -3.96 -4.89 -3.77 3.52 -0.58 -1.26 -4.97 120.64 104.73 1m4j n GLU 35 Ca -0.15 0.55 -0.13 0.00 -0.42 0.00 0.00 57.16 57.02 1m4j n GLU 35 Cb 0.63 -5.28 -0.11 0.00 -0.57 0.00 0.00 31.44 26.10 1m4j n GLU 35 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1m4j s GLN 36 N -6.53 0.38 -0.29 3.49 0.74 -1.02 -4.36 119.66 112.07 1m4j s GLN 36 Ca 0.48 0.42 -0.22 0.00 0.05 0.00 0.00 55.36 56.09 1m4j s GLN 36 Cb -0.24 0.18 -0.01 0.00 1.10 0.00 0.00 33.01 34.04 1m4j s GLN 36 CO 0.84 -0.05 0.72 -0.51 -0.55 0.00 0.00 175.29 175.74 1m4j s LEU 37 N 0.13 4.10 0.15 3.68 1.43 -0.79 -0.99 118.68 126.39 1m4j s LEU 37 Ca -0.00 0.63 0.10 0.00 -1.03 0.00 0.00 54.13 53.82 1m4j s LEU 37 Cb -0.02 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 1m4j s LEU 37 CO 0.01 -0.52 -0.23 0.68 0.23 0.00 0.00 176.35 176.51 1m4j s VAL 38 N 2.76 2.08 -0.34 -1.59 -7.23 0.10 -4.41 120.40 111.78 1m4j s VAL 38 Ca 0.29 -1.84 -0.24 0.00 -1.81 0.00 0.00 61.98 58.39 1m4j s VAL 38 Cb -0.15 -1.91 0.01 0.00 0.56 0.00 0.00 36.38 34.89 1m4j s VAL 38 CO 0.11 -0.09 0.80 -0.69 -0.31 0.00 0.00 175.10 174.92 1m4j s VAL 39 N -1.48 4.74 -1.27 1.32 1.01 -1.26 -0.81 120.40 122.65 1m4j s VAL 39 Ca 0.15 1.07 0.24 0.00 0.00 0.00 0.00 61.98 63.44 1m4j s VAL 39 Cb -0.08 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 1m4j s VAL 39 CO 0.07 -0.36 1.24 0.61 0.00 0.00 0.00 175.10 176.67 1m4j n GLY 40 N 4.34 -0.89 3.63 4.51 0.00 0.16 -4.95 105.19 111.99 1m4j n GLY 40 Ca 0.04 -0.48 -0.03 0.00 0.00 0.00 0.00 46.02 45.55 1m4j n GLY 40 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1m4j s SER 41 N -2.84 -0.07 0.04 1.61 0.15 -1.22 -4.93 113.70 106.44 1m4j s SER 41 Ca 0.13 0.05 -0.23 0.00 0.70 0.00 0.00 55.95 56.61 1m4j s SER 41 Cb 0.17 0.06 0.05 0.00 -1.71 0.00 0.00 66.02 64.60 1m4j s SER 41 CO 0.70 -0.09 0.52 0.00 1.20 0.00 0.00 173.24 175.58 1m4j s SER 43 N -1.89 -0.34 0.76 0.00 0.01 -1.16 -5.02 113.70 106.05 1m4j s SER 43 Ca -0.06 0.64 -0.11 0.00 1.31 0.00 0.00 55.95 57.74 1m4j s SER 43 Cb -0.01 0.61 0.05 0.00 0.21 0.00 0.00 66.02 66.88 1m4j s SER 43 CO -0.01 -0.13 1.08 -2.84 0.41 0.00 0.00 173.24 171.75 1m4j s PRO 44 N 0.55 2.41 0.60 12.44 0.02 -1.26 0.96 135.00 150.72 1m4j s PRO 44 Ca -0.03 0.98 -0.16 0.00 0.02 0.00 0.00 61.00 61.81 1m4j s PRO 44 Cb -0.05 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.52 1m4j s PRO 44 CO -0.03 -1.48 1.08 -2.14 -0.33 0.00 0.00 177.00 174.10 1m4j s PRO 45 N -5.00 3.17 0.15 5.54 0.02 -1.26 -4.38 135.00 133.24 1m4j s PRO 45 Ca 0.60 1.33 0.00 0.00 0.02 0.00 0.00 61.00 62.95 1m4j s PRO 45 Cb -0.16 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.36 1m4j s PRO 45 CO 0.55 -0.95 0.00 0.45 -0.33 0.00 0.00 177.00 176.73 1m4j n SER 46 N -2.02 0.75 0.00 2.53 2.88 -1.26 -4.99 113.62 111.52 1m4j n SER 46 Ca 0.10 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1m4j n SER 46 Cb 0.52 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 1m4j n SER 46 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1m4j n ASP 47 N -3.49 0.03 -4.75 -3.46 8.00 -1.26 -5.11 116.55 106.51 1m4j n ASP 47 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 1m4j n ASP 47 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.21 1m4j n ASP 47 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1m4j s SER 48 N 1.00 4.11 0.25 -2.24 1.04 -1.26 -4.77 113.70 111.82 1m4j s SER 48 Ca 0.00 1.68 -0.05 0.00 0.48 0.00 0.00 55.95 58.06 1m4j s SER 48 Cb 0.00 -2.37 0.35 0.00 0.10 0.00 0.00 66.02 64.10 1m4j s SER 48 CO 0.00 -2.26 1.86 4.11 0.98 0.00 0.00 173.24 177.93 1m4j h TRP 49 N -1.29 1.05 -0.54 5.02 5.08 -1.95 -1.59 115.95 121.74 1m4j h TRP 49 Ca -0.46 0.03 0.02 0.00 1.08 0.00 0.00 58.89 59.56 1m4j h TRP 49 Cb 1.25 -0.34 -0.04 0.00 -3.00 0.00 0.00 29.16 27.03 1m4j h TRP 49 CO 0.52 0.54 0.33 0.93 -1.28 0.00 0.00 178.44 179.48 1m4j h GLU 50 N 1.04 0.63 -0.42 0.12 5.08 -1.96 0.29 114.58 119.35 1m4j h GLU 50 Ca 0.39 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.66 1m4j h GLU 50 Cb 0.16 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1m4j h GLU 50 CO -0.17 0.42 0.08 1.96 -1.00 0.00 0.00 179.01 180.30 1m4j h GLN 51 N 0.65 0.68 -0.20 2.33 4.20 -1.84 -2.53 115.11 118.40 1m4j h GLN 51 Ca 0.22 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 1m4j h GLN 51 Cb 0.02 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1m4j h GLN 51 CO -0.09 0.71 -0.16 -0.44 -0.67 0.00 0.00 178.83 178.18 1m4j h ASP 52 N 0.54 0.32 -0.03 1.46 5.19 -0.82 -2.36 116.42 120.72 1m4j h ASP 52 Ca 0.13 -0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1m4j h ASP 52 Cb 0.35 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.78 1m4j h ASP 52 CO 0.01 0.50 0.01 0.22 -3.12 0.00 0.00 179.24 176.86 1m4j h TYR 53 N 0.31 0.04 -0.96 4.55 3.20 -0.14 0.64 116.97 124.61 1m4j h TYR 53 Ca 0.06 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.95 1m4j h TYR 53 Cb 0.47 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.67 1m4j h TYR 53 CO 0.01 0.19 0.63 0.22 -1.64 0.00 0.00 178.16 177.57 1m4j h ASP 54 N -0.11 1.08 1.16 -2.11 1.82 -1.28 -2.43 116.42 114.55 1m4j h ASP 54 Ca 0.01 -0.02 -0.16 0.00 -0.39 0.00 0.00 57.03 56.47 1m4j h ASP 54 Cb 0.16 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 39.89 1m4j h ASP 54 CO -0.00 0.76 -0.87 0.77 -1.61 0.00 0.00 179.24 178.29 1m4j h SER 55 N 1.26 0.00 0.00 2.28 4.64 -1.22 -3.42 113.55 117.09 1m4j h SER 55 Ca 0.37 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.44 1m4j h SER 55 Cb -0.08 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 61.97 1m4j h SER 55 CO -0.10 0.73 -1.94 0.49 -0.87 0.00 0.00 176.83 175.14 1m4j n PHE 56 N -3.23 0.00 0.26 4.77 3.72 0.20 -4.79 117.46 118.39 1m4j n PHE 56 Ca -0.01 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.28 1m4j n PHE 56 Cb 0.84 -0.68 -0.05 0.00 -0.94 0.00 0.00 39.48 38.66 1m4j n PHE 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1m4j h VAL 57 N 0.00 0.00 -0.95 -4.37 2.07 -1.62 -3.37 116.25 108.01 1m4j h VAL 57 Ca -0.37 -0.32 0.13 0.00 0.82 0.00 0.00 66.70 66.96 1m4j h VAL 57 Cb 1.83 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.52 1m4j h VAL 57 CO 0.02 0.00 0.60 -0.07 0.02 0.00 0.00 177.57 178.14 1m4j h LEU 58 N -1.02 0.79 -1.34 2.57 -0.00 -1.83 -2.21 115.31 112.28 1m4j h LEU 58 Ca -0.07 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1m4j h LEU 58 Cb 0.54 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 1m4j h LEU 58 CO 0.12 0.41 0.00 -2.65 -0.00 0.00 0.00 178.44 176.32 1m4j n PRO 59 N -4.60 0.15 0.12 1.13 -0.02 -1.26 -2.34 135.00 128.19 1m4j n PRO 59 Ca 0.18 0.60 0.12 0.00 -2.02 0.00 0.00 63.50 62.39 1m4j n PRO 59 Cb 0.41 -1.96 0.14 0.00 -0.02 0.00 0.00 33.50 32.07 1m4j n PRO 59 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1m4j h LEU 60 N 0.00 0.00 -8.77 2.45 3.38 -1.57 -3.46 115.31 107.33 1m4j h LEU 60 Ca 0.00 -0.06 -0.60 0.00 0.09 0.00 0.00 57.88 57.31 1m4j h LEU 60 Cb 0.07 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.71 1m4j h LEU 60 CO 0.00 0.03 0.51 -0.76 0.09 0.00 0.00 178.44 178.31 1m4j s LEU 61 N -5.19 4.06 0.36 1.67 1.43 -0.99 -5.04 118.68 114.97 1m4j s LEU 61 Ca 0.05 0.36 -0.25 0.00 -1.03 0.00 0.00 54.13 53.25 1m4j s LEU 61 Cb 0.10 -3.15 -0.10 0.00 0.03 0.00 0.00 46.19 43.07 1m4j s LEU 61 CO 0.72 -0.87 1.00 -1.61 0.23 0.00 0.00 176.35 175.82 1m4j s GLU 62 N 3.41 4.40 0.37 1.70 2.02 -1.26 -4.97 118.70 124.36 1m4j s GLU 62 Ca 0.35 1.43 0.10 0.00 0.02 0.00 0.00 54.97 56.88 1m4j s GLU 62 Cb -0.12 -2.70 0.71 0.00 0.10 0.00 0.00 34.13 32.13 1m4j s GLU 62 CO 0.20 0.08 1.85 -0.44 0.02 0.00 0.00 175.26 176.98 1m4j h ASP 63 N 2.89 0.15 -0.16 -0.19 3.32 -2.00 -3.26 116.42 117.16 1m4j h ASP 63 Ca -0.47 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.38 1m4j h ASP 63 Cb 1.20 -0.04 -0.19 0.00 0.22 0.00 0.00 39.33 40.52 1m4j h ASP 63 CO 0.64 0.42 -0.72 0.29 -1.72 0.00 0.00 179.24 178.14 1m4j n LYS 64 N -4.18 1.58 -3.69 3.56 5.02 -1.26 -4.50 118.16 114.69 1m4j n LYS 64 Ca -0.01 -3.17 -0.11 0.00 -2.02 0.00 0.00 58.31 53.00 1m4j n LYS 64 Cb 0.35 -1.36 -0.11 0.00 -0.02 0.00 0.00 35.03 33.89 1m4j n LYS 64 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1m4j s GLN 65 N -2.60 0.30 0.75 1.97 2.00 -1.23 -4.47 119.66 116.38 1m4j s GLN 65 Ca 0.38 0.80 -0.11 0.00 -2.00 0.00 0.00 55.36 54.43 1m4j s GLN 65 Cb 0.38 0.04 0.04 0.00 0.80 0.00 0.00 33.01 34.28 1m4j s GLN 65 CO -0.07 -0.21 1.09 -2.14 -0.50 0.00 0.00 175.29 173.46 1m4j s PRO 66 N 1.86 2.45 0.20 1.67 0.02 -1.26 -4.27 135.00 135.67 1m4j s PRO 66 Ca -0.06 0.69 -0.23 0.00 0.02 0.00 0.00 61.00 61.42 1m4j s PRO 66 Cb -0.10 -1.96 0.06 0.00 0.02 0.00 0.00 34.50 32.53 1m4j s PRO 66 CO -0.11 -1.37 0.95 0.00 -0.33 0.00 0.00 177.00 176.14 1m4j s TYR 68 N -2.82 2.26 -0.11 0.00 1.51 -0.17 -1.30 117.35 116.72 1m4j s TYR 68 Ca 0.16 -0.39 -0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1m4j s TYR 68 Cb -0.02 -1.27 0.02 0.00 -0.11 0.00 0.00 41.96 40.58 1m4j s TYR 68 CO 0.05 0.24 -0.07 0.08 -1.11 0.00 0.00 175.55 174.74 1m4j s VAL 69 N -0.96 0.95 -0.33 0.71 1.01 0.36 -0.55 120.40 121.59 1m4j s VAL 69 Ca 0.12 -0.24 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 1m4j s VAL 69 Cb -0.10 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 1m4j s VAL 69 CO 0.04 0.35 0.21 -0.76 0.00 0.00 0.00 175.10 174.94 1m4j s LEU 70 N 1.72 4.36 -0.18 3.92 1.43 -0.02 -0.33 118.68 129.58 1m4j s LEU 70 Ca 0.05 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 52.65 1m4j s LEU 70 Cb -0.13 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 1m4j s LEU 70 CO -0.08 -0.22 -0.06 0.12 0.23 0.00 0.00 176.35 176.35 1m4j s PHE 71 N 1.68 2.95 -0.10 0.29 5.36 -0.23 -1.09 117.98 126.83 1m4j s PHE 71 Ca 0.05 -0.64 -0.23 0.00 -0.96 0.00 0.00 56.93 55.15 1m4j s PHE 71 Cb -0.17 -2.00 -0.03 0.00 -0.34 0.00 0.00 43.02 40.47 1m4j s PHE 71 CO 0.09 -0.30 0.70 0.50 -1.46 0.00 0.00 175.22 174.75 1m4j s ARG 72 N 0.86 4.38 0.85 10.12 3.52 0.92 -0.06 118.95 139.55 1m4j s ARG 72 Ca -0.01 0.85 -0.09 0.00 -0.13 0.00 0.00 55.73 56.35 1m4j s ARG 72 Cb -0.15 -3.49 0.17 0.00 -1.56 0.00 0.00 34.95 29.93 1m4j s ARG 72 CO 0.01 -0.04 1.17 -0.51 -0.81 0.00 0.00 175.30 175.13 1m4j s LEU 73 N 1.16 2.84 0.12 -0.88 1.43 -0.18 -4.89 118.68 118.28 1m4j s LEU 73 Ca 0.36 -0.09 0.23 0.00 -1.03 0.00 0.00 54.13 53.59 1m4j s LEU 73 Cb -0.17 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1m4j s LEU 73 CO 0.16 -2.36 0.94 0.47 0.23 0.00 0.00 176.35 175.79 1m4j n ASP 74 N -3.34 0.62 -4.89 2.29 8.00 -1.26 -4.61 116.55 113.36 1m4j n ASP 74 Ca 0.16 0.14 -0.30 0.00 0.71 0.00 0.00 54.79 55.50 1m4j n ASP 74 Cb 0.60 0.81 0.05 0.00 -0.02 0.00 0.00 41.12 42.56 1m4j n ASP 74 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1m4j s SER 75 N -4.84 5.33 0.06 -2.24 1.04 -1.26 -4.94 113.70 106.85 1m4j s SER 75 Ca -0.01 1.05 0.00 0.00 0.48 0.00 0.00 55.95 57.47 1m4j s SER 75 Cb 0.12 -1.82 -0.04 0.00 0.10 0.00 0.00 66.02 64.38 1m4j s SER 75 CO 0.81 -1.39 -0.04 -1.10 0.98 0.00 0.00 173.24 172.50 1m4j s GLN 76 N -5.36 0.61 0.00 4.02 -0.21 -1.26 -1.33 119.66 116.13 1m4j s GLN 76 Ca 0.58 -1.11 0.00 0.00 0.02 0.00 0.00 55.36 54.86 1m4j s GLN 76 Cb -0.11 0.04 0.00 0.00 1.00 0.00 0.00 33.01 33.94 1m4j s GLN 76 CO 0.51 -0.06 0.00 0.27 -2.12 0.00 0.00 175.29 173.89 1m4j n ASN 77 N 0.44 1.74 0.24 5.90 0.23 0.36 -4.87 115.26 119.30 1m4j n ASN 77 Ca -0.16 -0.86 0.16 0.00 -0.53 0.00 0.00 54.58 53.19 1m4j n ASN 77 Cb 0.59 0.00 0.86 0.00 -2.08 0.00 0.00 39.78 39.15 1m4j n ASN 77 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1m4j h ALA 78 N 0.91 1.00 -0.39 -2.53 0.00 -1.99 -2.33 119.26 113.93 1m4j h ALA 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1m4j h ALA 78 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1m4j h ALA 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 1m4j n GLN 79 N -2.62 2.39 0.00 0.00 6.02 -1.26 -5.09 117.38 116.81 1m4j n GLN 79 Ca -0.02 -2.13 0.00 0.00 -0.01 0.00 0.00 57.00 54.84 1m4j n GLN 79 Cb 0.06 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 29.92 1m4j n GLN 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1m4j n GLY 80 N 1.10 0.09 3.62 1.08 0.00 -0.88 -4.98 105.19 105.23 1m4j n GLY 80 Ca 0.16 -2.25 -0.39 0.00 0.00 0.00 0.00 46.02 43.55 1m4j n GLY 80 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1m4j n TYR 81 N 0.00 1.02 -3.63 1.61 4.02 -1.26 -0.49 117.16 118.43 1m4j n TYR 81 Ca 0.00 0.47 -0.32 0.00 -0.01 0.00 0.00 57.90 58.04 1m4j n TYR 81 Cb 0.00 -2.18 -0.05 0.00 -0.02 0.00 0.00 39.34 37.09 1m4j n TYR 81 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1m4j s GLU 82 N -2.50 3.67 0.17 -0.72 2.02 -0.44 -4.72 118.70 116.18 1m4j s GLU 82 Ca 0.71 0.01 0.07 0.00 0.02 0.00 0.00 54.97 55.78 1m4j s GLU 82 Cb -0.46 -2.88 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 1m4j s GLU 82 CO 0.51 0.49 -0.14 -1.58 0.02 0.00 0.00 175.26 174.55 1m4j s TRP 83 N -1.59 1.57 -0.16 1.61 0.52 0.00 -1.01 118.94 119.88 1m4j s TRP 83 Ca 0.39 -0.59 -0.06 0.00 0.02 0.00 0.00 56.10 55.86 1m4j s TRP 83 Cb -0.13 -0.77 -0.04 0.00 -1.15 0.00 0.00 33.47 31.39 1m4j s TRP 83 CO 0.22 0.25 0.04 0.42 0.02 0.00 0.00 176.95 177.90 1m4j s ILE 84 N -2.71 4.58 -0.42 2.03 1.01 0.92 -0.66 121.20 125.94 1m4j s ILE 84 Ca 0.17 -0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.60 1m4j s ILE 84 Cb -0.02 -3.03 0.06 0.00 0.01 0.00 0.00 42.46 39.48 1m4j s ILE 84 CO 0.05 0.49 0.27 0.12 0.00 0.00 0.00 174.94 175.86 1m4j s PHE 85 N 0.17 3.30 -0.27 3.97 5.99 0.12 -1.07 117.98 130.18 1m4j s PHE 85 Ca 0.03 -1.29 -0.11 0.00 0.00 0.00 0.00 56.93 55.56 1m4j s PHE 85 Cb -0.13 -2.85 -0.05 0.00 0.00 0.00 0.00 43.02 39.99 1m4j s PHE 85 CO 0.01 -0.79 0.20 0.42 -0.00 0.00 0.00 175.22 175.07 1m4j s ILE 86 N 1.49 5.30 -0.38 3.12 1.01 0.55 -0.75 121.20 131.55 1m4j s ILE 86 Ca 0.03 0.21 -0.10 0.00 0.00 0.00 0.00 60.65 60.79 1m4j s ILE 86 Cb -0.22 -3.54 0.04 0.00 0.01 0.00 0.00 42.46 38.75 1m4j s ILE 86 CO 0.04 0.25 0.20 0.00 0.00 0.00 0.00 174.94 175.43 1m4j s ALA 87 N 1.70 3.24 -0.25 9.38 0.00 0.71 -0.49 121.76 136.05 1m4j s ALA 87 Ca 0.08 -1.84 -0.13 0.00 0.00 0.00 0.00 51.96 50.07 1m4j s ALA 87 Cb -0.16 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 1m4j s ALA 87 CO 0.10 -1.45 0.28 -0.46 0.00 0.00 0.00 175.76 174.23 1m4j s TRP 88 N 1.49 3.28 -0.41 0.00 -0.11 -0.42 -1.86 118.94 120.92 1m4j s TRP 88 Ca 0.01 0.34 0.04 0.00 1.22 0.00 0.00 56.10 57.71 1m4j s TRP 88 Cb -0.20 -2.44 0.17 0.00 -1.50 0.00 0.00 33.47 29.49 1m4j s TRP 88 CO 0.05 -0.10 0.39 0.45 -4.62 0.00 0.00 176.95 173.12 1m4j s SER 89 N 1.40 1.15 0.43 5.86 0.15 -0.40 -1.64 113.70 120.66 1m4j s SER 89 Ca 0.12 -2.44 -0.26 0.00 0.70 0.00 0.00 55.95 54.07 1m4j s SER 89 Cb -0.15 0.13 -0.09 0.00 -1.71 0.00 0.00 66.02 64.19 1m4j s SER 89 CO 0.08 -0.19 1.46 -2.84 1.20 0.00 0.00 173.24 172.95 1m4j s PRO 90 N 0.61 3.83 0.52 5.44 0.02 -1.26 -4.20 135.00 139.95 1m4j s PRO 90 Ca 0.27 2.49 0.29 0.00 0.02 0.00 0.00 61.00 64.07 1m4j s PRO 90 Cb -0.05 -2.76 1.42 0.00 0.02 0.00 0.00 34.50 33.13 1m4j s PRO 90 CO -0.11 -0.73 2.04 -0.44 -0.33 0.00 0.00 177.00 177.43 1m4j h ASP 91 N 2.55 0.00 0.00 2.53 3.32 -1.86 -1.13 116.42 121.83 1m4j h ASP 91 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1m4j h ASP 91 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1m4j h ASP 91 CO 0.62 0.12 0.00 1.41 -1.72 0.00 0.00 179.24 179.67 1m4j n HIS 92 N -3.50 0.00 -2.16 4.55 8.25 -1.26 -4.83 115.22 116.27 1m4j n HIS 92 Ca -0.01 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.13 1m4j n HIS 92 Cb 0.27 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.37 1m4j n HIS 92 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1m4j s SER 93 N -1.12 6.41 0.33 0.41 0.01 -0.43 -4.72 113.70 114.59 1m4j s SER 93 Ca 0.05 1.45 -0.28 0.00 1.31 0.00 0.00 55.95 58.48 1m4j s SER 93 Cb 0.02 -2.47 -0.10 0.00 0.21 0.00 0.00 66.02 63.69 1m4j s SER 93 CO 0.04 -0.72 1.21 -2.28 0.41 0.00 0.00 173.24 171.90 1m4j s HIS 94 N -2.90 3.21 0.30 2.43 5.65 -1.26 -4.87 115.29 117.85 1m4j s HIS 94 Ca 0.56 1.54 0.03 0.00 0.25 0.00 0.00 55.06 57.44 1m4j s HIS 94 Cb -0.10 -3.49 0.59 0.00 -1.18 0.00 0.00 32.58 28.40 1m4j s HIS 94 CO 0.43 -1.32 1.86 -0.39 -0.65 0.00 0.00 174.74 174.67 1m4j h VAL 95 N 2.86 0.93 -0.76 0.89 -1.51 -1.95 -0.53 116.25 116.19 1m4j h VAL 95 Ca -0.48 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 1m4j h VAL 95 Cb 1.22 -0.10 -0.04 0.00 -2.13 0.00 0.00 31.29 30.25 1m4j h VAL 95 CO 0.65 0.17 0.49 -0.09 -1.23 0.00 0.00 177.57 177.56 1m4j h ARG 96 N 0.95 1.01 -0.48 5.19 9.65 -1.99 0.50 114.38 129.22 1m4j h ARG 96 Ca 0.47 -0.07 -0.11 0.00 -1.10 0.00 0.00 59.98 59.17 1m4j h ARG 96 Cb 0.47 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 1m4j h ARG 96 CO -0.23 0.69 -0.13 1.96 2.80 0.00 0.00 179.97 185.06 1m4j h GLN 97 N 1.03 0.93 -0.33 0.20 1.08 -1.61 0.23 115.11 116.63 1m4j h GLN 97 Ca 0.28 -0.36 0.02 0.00 -1.45 0.00 0.00 58.65 57.14 1m4j h GLN 97 Cb -0.09 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.26 1m4j h GLN 97 CO -0.06 1.02 0.16 0.87 -0.95 0.00 0.00 178.83 179.88 1m4j h LYS 98 N 0.78 0.33 -0.40 1.46 1.57 -0.59 -1.28 116.57 118.44 1m4j h LYS 98 Ca 0.12 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1m4j h LYS 98 Cb 0.69 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1m4j h LYS 98 CO 0.05 0.22 0.15 0.52 -0.57 0.00 0.00 179.45 179.82 1m4j h MET 99 N 0.34 0.61 0.08 3.15 2.86 -0.75 -2.06 114.93 119.16 1m4j h MET 99 Ca 0.14 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1m4j h MET 99 Cb 0.06 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1m4j h MET 99 CO -0.10 0.59 -0.04 1.25 1.06 0.00 0.00 176.91 179.67 1m4j h LEU 100 N 0.51 -0.10 -0.72 1.22 5.85 -0.70 -0.71 115.31 120.67 1m4j h LEU 100 Ca 0.13 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 1m4j h LEU 100 Cb 0.22 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1m4j h LEU 100 CO -0.01 -0.05 -0.03 1.88 -0.34 0.00 0.00 178.44 179.90 1m4j h TYR 101 N -0.13 1.04 -0.61 1.25 -1.99 -1.24 -1.19 116.97 114.10 1m4j h TYR 101 Ca -0.01 -0.18 -0.10 0.00 2.00 0.00 0.00 58.73 60.44 1m4j h TYR 101 Cb 0.10 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 38.54 1m4j h TYR 101 CO -0.07 0.94 -0.01 0.00 -0.00 0.00 0.00 178.16 179.03 1m4j h ALA 102 N 1.08 0.84 0.00 3.88 0.00 -1.26 -1.95 119.26 121.85 1m4j h ALA 102 Ca 0.16 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1m4j h ALA 102 Cb 0.55 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1m4j h ALA 102 CO 0.03 0.67 -0.41 0.00 0.00 0.00 0.00 179.25 179.54 1m4j h ALA 103 N 1.00 0.96 -0.01 0.00 0.00 -0.96 -3.19 119.26 117.07 1m4j h ALA 103 Ca 0.17 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1m4j h ALA 103 Cb 0.57 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1m4j h ALA 103 CO 0.03 0.51 -0.47 2.41 0.00 0.00 0.00 179.25 181.74 1m4j n THR 104 N -3.53 0.00 -0.15 0.00 -1.04 -0.47 -4.45 114.28 104.64 1m4j n THR 104 Ca -0.00 -0.17 -0.04 0.00 -2.04 0.00 0.00 64.05 61.80 1m4j n THR 104 Cb 0.54 0.87 0.05 0.00 -1.82 0.00 0.00 70.33 69.97 1m4j n THR 104 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1m4j h ARG 105 N 1.59 0.32 0.00 -2.82 2.43 -1.34 -0.77 114.38 113.79 1m4j h ARG 105 Ca 0.00 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1m4j h ARG 105 Cb 0.63 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1m4j h ARG 105 CO 0.00 0.21 -0.16 0.00 -1.51 0.00 0.00 179.97 178.51 1m4j h ALA 106 N 1.31 1.52 -0.22 2.80 0.00 -1.80 -1.76 119.26 121.11 1m4j h ALA 106 Ca 0.22 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1m4j h ALA 106 Cb 0.23 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1m4j h ALA 106 CO -0.23 0.20 -0.16 1.15 0.00 0.00 0.00 179.25 180.21 1m4j h THR 107 N 0.00 1.32 -0.78 0.00 2.02 -1.43 -1.98 112.91 112.06 1m4j h THR 107 Ca -0.00 -1.28 -0.05 0.00 0.77 0.00 0.00 66.41 65.85 1m4j h THR 107 Cb 0.33 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 1m4j h THR 107 CO 0.02 0.39 0.29 0.25 0.37 0.00 0.00 175.52 176.84 1m4j h LEU 108 N 0.18 1.10 -0.54 2.58 5.85 -0.96 -1.19 115.31 122.33 1m4j h LEU 108 Ca 0.04 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.60 1m4j h LEU 108 Cb 0.68 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1m4j h LEU 108 CO 0.04 0.99 0.32 0.50 -0.34 0.00 0.00 178.44 179.95 1m4j h LYS 109 N 1.15 0.62 -0.41 1.25 3.64 -1.22 0.03 116.57 121.63 1m4j h LYS 109 Ca 0.26 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1m4j h LYS 109 Cb 0.25 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1m4j h LYS 109 CO -0.02 0.41 0.08 -0.22 -2.27 0.00 0.00 179.45 177.44 1m4j h LYS 110 N 0.64 0.67 -0.40 1.90 3.64 -0.96 0.05 116.57 122.11 1m4j h LYS 110 Ca 0.22 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1m4j h LYS 110 Cb 0.03 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1m4j h LYS 110 CO -0.10 0.70 0.13 0.93 -2.27 0.00 0.00 179.45 178.85 1m4j h GLU 111 N 0.53 0.57 0.00 1.90 4.39 -0.86 -2.75 114.58 118.36 1m4j h GLU 111 Ca 0.13 -0.08 -0.16 0.00 0.34 0.00 0.00 59.36 59.59 1m4j h GLU 111 Cb 0.34 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1m4j h GLU 111 CO 0.00 0.49 -0.96 0.35 -1.16 0.00 0.00 179.01 177.73 1m4j h PHE 112 N 0.56 0.00 0.00 4.33 3.57 -0.76 -3.49 116.94 121.14 1m4j h PHE 112 Ca 0.14 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1m4j h PHE 112 Cb 0.15 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1m4j h PHE 112 CO 0.01 0.65 0.00 0.41 -2.23 0.00 0.00 178.31 177.15 1m4j n GLY 113 N 1.32 1.11 0.31 2.40 0.00 -0.02 -4.89 105.19 105.41 1m4j n GLY 113 Ca -0.03 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.33 1m4j n GLY 113 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1m4j h GLY 114 N 0.00 0.00 2.00 -0.02 0.00 -1.70 -2.01 103.07 101.34 1m4j h GLY 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1m4j h GLY 114 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.21 1m4j h GLY 115 N 0.00 0.00 1.14 4.60 0.00 -1.93 -2.14 103.07 104.75 1m4j h GLY 115 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1m4j h GLY 115 CO -0.00 0.00 -0.50 1.42 0.00 0.00 0.00 176.54 177.46 1m4j n HIS 116 N -2.46 0.18 -3.05 5.60 -0.00 -0.75 -4.83 115.22 109.90 1m4j n HIS 116 Ca 0.00 0.05 -0.41 0.00 -0.00 0.00 0.00 57.72 57.36 1m4j n HIS 116 Cb 0.17 -0.40 -0.06 0.00 -0.00 0.00 0.00 29.99 29.70 1m4j n HIS 116 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1m4j s ILE 117 N -3.05 4.87 -0.21 1.59 -1.09 -0.81 -0.82 121.20 121.69 1m4j s ILE 117 Ca 0.10 0.93 -0.16 0.00 -2.23 0.00 0.00 60.65 59.28 1m4j s ILE 117 Cb 0.16 -4.07 -0.19 0.00 -1.58 0.00 0.00 42.46 36.79 1m4j s ILE 117 CO 0.69 -0.21 0.10 1.17 -1.23 0.00 0.00 174.94 175.46 1m4j n LYS 118 N 6.03 0.61 -4.60 2.79 4.81 0.16 -4.88 118.16 123.09 1m4j n LYS 118 Ca 0.01 0.43 -0.24 0.00 -0.87 0.00 0.00 58.31 57.64 1m4j n LYS 118 Cb 0.49 -1.68 -0.14 0.00 0.02 0.00 0.00 35.03 33.72 1m4j n LYS 118 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1m4j s ASP 119 N -7.00 2.23 -0.20 3.14 1.01 -1.09 -5.05 116.67 109.70 1m4j s ASP 119 Ca -0.30 -0.48 0.01 0.00 0.71 0.00 0.00 52.55 52.49 1m4j s ASP 119 Cb 0.08 -0.19 0.04 0.00 1.01 0.00 0.00 42.92 43.87 1m4j s ASP 119 CO 0.61 0.14 -0.11 -1.61 0.21 0.00 0.00 175.17 174.40 1m4j s GLU 120 N -1.06 2.16 -0.05 8.23 2.02 -1.26 0.10 118.70 128.84 1m4j s GLU 120 Ca 0.06 -0.89 0.05 0.00 0.02 0.00 0.00 54.97 54.21 1m4j s GLU 120 Cb -0.08 -2.48 -0.02 0.00 0.10 0.00 0.00 34.13 31.65 1m4j s GLU 120 CO 0.01 -0.42 -0.19 0.08 0.02 0.00 0.00 175.26 174.76 1m4j s VAL 121 N 1.35 2.63 0.06 2.63 1.01 0.07 -4.97 120.40 123.18 1m4j s VAL 121 Ca -0.01 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.18 1m4j s VAL 121 Cb -0.16 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 1m4j s VAL 121 CO -0.08 0.58 -0.25 0.12 0.00 0.00 0.00 175.10 175.47 1m4j s PHE 122 N -0.57 2.21 -0.08 5.22 5.36 -1.26 -0.21 117.98 128.64 1m4j s PHE 122 Ca 0.08 -0.40 -0.24 0.00 -0.96 0.00 0.00 56.93 55.41 1m4j s PHE 122 Cb -0.11 -1.30 0.06 0.00 -0.34 0.00 0.00 43.02 41.33 1m4j s PHE 122 CO 0.01 0.15 0.56 0.20 -1.46 0.00 0.00 175.22 174.68 1m4j s GLY 123 N -1.36 -0.44 -0.00 13.12 0.00 -0.78 -4.79 107.32 113.07 1m4j s GLY 123 Ca 0.11 1.15 0.03 0.00 0.00 0.00 0.00 44.72 46.01 1m4j s GLY 123 CO 0.03 0.86 0.11 -1.30 0.00 0.00 0.00 173.10 172.80 1m4j n THR 124 N 1.46 0.00 -4.24 0.90 -2.24 -1.26 -1.27 114.28 107.62 1m4j n THR 124 Ca -0.18 -0.36 -0.18 0.00 -2.27 0.00 0.00 64.05 61.06 1m4j n THR 124 Cb 0.56 0.89 -0.13 0.00 -2.10 0.00 0.00 70.33 69.56 1m4j n THR 124 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1m4j s VAL 125 N -1.44 0.90 0.42 2.28 -7.23 -1.26 -3.59 120.40 110.48 1m4j s VAL 125 Ca 0.01 -0.95 0.21 0.00 -1.81 0.00 0.00 61.98 59.43 1m4j s VAL 125 Cb 0.02 -0.84 0.41 0.00 0.56 0.00 0.00 36.38 36.53 1m4j s VAL 125 CO 0.12 -0.09 1.80 0.11 -0.31 0.00 0.00 175.10 176.72 1m4j h LYS 126 N 4.90 0.33 -0.65 4.82 1.57 -1.99 -0.24 116.57 125.31 1m4j h LYS 126 Ca -0.37 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.42 1m4j h LYS 126 Cb 1.19 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 1m4j h LYS 126 CO 0.44 0.22 0.43 1.49 -0.57 0.00 0.00 179.45 181.45 1m4j h GLU 127 N 0.34 0.79 -0.38 3.15 4.81 -1.96 -1.90 114.58 119.42 1m4j h GLU 127 Ca 0.56 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.77 1m4j h GLU 127 Cb 1.53 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.71 1m4j h GLU 127 CO -0.23 0.52 0.25 -0.44 -0.73 0.00 0.00 179.01 178.39 1m4j h ASP 128 N 0.81 0.34 -0.20 1.04 3.32 -1.40 -2.97 116.42 117.36 1m4j h ASP 128 Ca 0.25 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1m4j h ASP 128 Cb -0.00 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1m4j h ASP 128 CO -0.06 0.24 0.00 1.33 -1.72 0.00 0.00 179.24 179.02 1m4j n VAL 129 N -4.48 1.40 -1.56 -1.35 0.24 -0.86 -4.19 118.33 107.52 1m4j n VAL 129 Ca 0.04 -1.35 -0.29 0.00 -2.04 0.00 0.00 64.34 60.69 1m4j n VAL 129 Cb 0.16 0.24 0.17 0.00 -1.47 0.00 0.00 33.84 32.94 1m4j n VAL 129 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1m4j s SER 130 N -1.44 2.79 0.26 -1.34 1.04 -0.77 -4.71 113.70 109.53 1m4j s SER 130 Ca 0.23 0.67 -0.04 0.00 0.48 0.00 0.00 55.95 57.28 1m4j s SER 130 Cb 0.16 -1.00 0.33 0.00 0.10 0.00 0.00 66.02 65.61 1m4j s SER 130 CO 0.09 -2.97 1.90 0.25 0.98 0.00 0.00 173.24 173.49 1m4j h LEU 131 N -1.79 1.09 -0.70 2.42 5.85 -1.90 0.37 115.31 120.64 1m4j h LEU 131 Ca -0.47 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.20 1m4j h LEU 131 Cb 1.29 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 1m4j h LEU 131 CO 0.48 0.74 0.27 -0.74 -0.34 0.00 0.00 178.44 178.85 1m4j h HIS 132 N 1.26 1.08 -0.81 1.25 2.76 -1.91 -1.37 115.15 117.40 1m4j h HIS 132 Ca 0.40 -0.09 -0.03 0.00 -2.20 0.00 0.00 60.37 58.46 1m4j h HIS 132 Cb 0.01 -0.32 -0.04 0.00 1.55 0.00 0.00 27.41 28.61 1m4j h HIS 132 CO -0.00 0.84 0.39 0.78 -1.30 0.00 0.00 177.93 178.64 1m4j h GLY 133 N 1.01 1.24 0.87 5.26 0.00 -1.17 -0.35 103.07 109.91 1m4j h GLY 133 Ca 0.23 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 1m4j h GLY 133 CO -0.02 0.58 -0.00 -1.82 0.00 0.00 0.00 176.54 175.28 1m4j h TYR 134 N 1.15 0.53 -0.68 5.60 3.20 -0.63 -1.27 116.97 124.87 1m4j h TYR 134 Ca 0.28 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 62.08 1m4j h TYR 134 Cb 0.10 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 1m4j h TYR 134 CO 0.01 0.64 0.44 0.87 -1.64 0.00 0.00 178.16 178.48 1m4j h LYS 135 N 0.27 0.85 -0.35 1.82 1.79 -0.89 -0.59 116.57 119.47 1m4j h LYS 135 Ca 0.08 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.42 1m4j h LYS 135 Cb 0.43 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 1m4j h LYS 135 CO 0.01 0.56 -0.09 -0.22 -1.08 0.00 0.00 179.45 178.63 1m4j h LYS 136 N 0.87 0.59 -0.25 3.15 3.64 -0.94 -2.67 116.57 120.97 1m4j h LYS 136 Ca 0.26 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1m4j h LYS 136 Cb -0.03 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1m4j h LYS 136 CO -0.09 0.68 0.14 -0.92 -2.27 0.00 0.00 179.45 177.00 1m4j h TYR 137 N 0.55 0.33 -0.47 1.91 3.20 -0.12 -2.09 116.97 120.28 1m4j h TYR 137 Ca 0.10 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.10 1m4j h TYR 137 Cb 0.49 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1m4j h TYR 137 CO 0.02 0.27 0.34 -0.07 -1.64 0.00 0.00 178.16 177.08 1m4j h LEU 138 N 0.30 0.02 0.00 2.82 3.38 -0.82 -3.51 115.31 117.50 1m4j h LEU 138 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1m4j h LEU 138 Cb 0.04 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1m4j h LEU 138 CO -0.02 0.01 0.00 0.18 0.09 0.00 0.00 178.44 178.71