#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rac s THR 2 N 0.00 3.48 -0.46 1.12 -4.23 -1.26 -4.56 115.64 109.73 1rac s THR 2 Ca 0.00 -1.25 0.06 0.00 -1.18 0.00 0.00 61.69 59.32 1rac s THR 2 Cb 0.00 -2.99 0.30 0.00 1.34 0.00 0.00 72.50 71.15 1rac s THR 2 CO 0.00 -0.17 1.07 1.57 -0.54 0.00 0.00 174.62 176.56 1rac n HIS 3 N 4.74 -2.94 0.00 3.99 -0.00 -1.26 -5.05 115.22 114.70 1rac n HIS 3 Ca -0.12 -2.01 0.00 0.00 -0.00 0.00 0.00 57.72 55.59 1rac n HIS 3 Cb 0.44 1.61 0.00 0.00 -0.00 0.00 0.00 29.99 32.04 1rac n HIS 3 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1rac n ASP 4 N 0.68 0.00 0.00 0.26 8.00 -1.26 -4.85 116.55 119.37 1rac n ASP 4 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1rac n ASP 4 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 1rac n ASP 4 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1rac n ASN 5 N 0.00 0.00 0.00 -2.24 3.02 -1.26 -3.43 115.26 111.35 1rac n ASN 5 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1rac n ASN 5 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1rac n ASN 5 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1rac n LYS 6 N 0.00 1.31 -3.56 3.52 2.85 -1.26 -5.08 118.16 115.94 1rac n LYS 6 Ca 0.00 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.02 1rac n LYS 6 Cb 0.00 -0.74 0.03 0.00 -0.65 0.00 0.00 35.03 33.68 1rac n LYS 6 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1rac n LEU 7 N -1.44 -3.59 -2.79 -5.58 4.32 -1.22 -3.73 117.00 102.97 1rac n LEU 7 Ca 0.00 -0.82 -0.00 0.00 -0.02 0.00 0.00 56.01 55.16 1rac n LEU 7 Cb 0.24 -2.49 0.00 0.00 -1.62 0.00 0.00 43.42 39.54 1rac n LEU 7 CO 0.00 0.15 0.28 0.00 -1.22 0.00 0.00 177.39 176.61 1rac n GLN 8 N -3.46 -1.13 -1.66 3.23 3.00 -1.26 -4.89 117.38 111.22 1rac n GLN 8 Ca -0.11 1.35 -0.42 0.00 -0.01 0.00 0.00 57.00 57.81 1rac n GLN 8 Cb 0.59 -5.05 0.00 0.00 0.00 0.00 0.00 30.24 25.79 1rac n GLN 8 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1rac n VAL 9 N -1.60 2.29 -1.89 5.09 0.24 -1.24 -4.81 118.33 116.41 1rac n VAL 9 Ca 0.00 -0.50 -0.23 0.00 -2.04 0.00 0.00 64.34 61.58 1rac n VAL 9 Cb 0.50 -1.35 -0.06 0.00 -1.47 0.00 0.00 33.84 31.45 1rac n VAL 9 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1rac s GLU 10 N -1.96 2.16 -0.25 7.34 8.01 -1.26 -4.84 118.70 127.90 1rac s GLU 10 Ca 0.60 -0.31 -0.19 0.00 0.01 0.00 0.00 54.97 55.08 1rac s GLU 10 Cb -0.57 -5.03 -0.02 0.00 -4.31 0.00 0.00 34.13 24.20 1rac s GLU 10 CO 0.59 -4.00 0.56 0.00 0.01 0.00 0.00 175.26 172.42 1rac s ALA 11 N 12.17 3.59 0.35 5.21 0.00 -1.26 -5.05 121.76 136.76 1rac s ALA 11 Ca 0.76 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 52.24 1rac s ALA 11 Cb -0.07 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 20.10 1rac s ALA 11 CO 0.06 -0.72 0.52 0.96 0.00 0.00 0.00 175.76 176.58 1rac s ILE 12 N 2.28 4.58 -0.16 0.00 -4.36 -1.26 -5.03 121.20 117.25 1rac s ILE 12 Ca 0.23 -0.74 -0.24 0.00 -0.26 0.00 0.00 60.65 59.65 1rac s ILE 12 Cb -0.16 -3.64 -0.21 0.00 1.25 0.00 0.00 42.46 39.70 1rac s ILE 12 CO 0.09 -0.34 0.50 0.50 0.24 0.00 0.00 174.94 175.93 1rac h LYS 13 N 0.79 0.00 -4.18 0.37 3.64 -1.94 -3.38 116.57 111.88 1rac h LYS 13 Ca -0.48 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.48 1rac h LYS 13 Cb 1.24 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.73 1rac h LYS 13 CO 0.58 0.88 -0.78 0.50 -2.27 0.00 0.00 179.45 178.36 1rac s ARG 14 N -2.21 0.90 0.00 1.90 3.52 -1.26 -0.36 118.95 121.44 1rac s ARG 14 Ca -0.20 -0.17 0.00 0.00 -0.13 0.00 0.00 55.73 55.23 1rac s ARG 14 Cb 0.00 -0.86 0.00 0.00 -1.56 0.00 0.00 34.95 32.53 1rac s ARG 14 CO 0.59 -0.02 0.00 0.41 -0.81 0.00 0.00 175.30 175.46 1rac n GLY 15 N 3.82 -0.52 3.05 8.12 0.00 0.44 -0.45 105.19 119.63 1rac n GLY 15 Ca -0.23 -0.92 -0.23 0.00 0.00 0.00 0.00 46.02 44.63 1rac n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rac s THR 16 N -3.15 1.06 -0.16 2.61 2.01 -0.19 -1.73 115.64 116.09 1rac s THR 16 Ca 0.00 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.51 1rac s THR 16 Cb 0.00 -0.94 0.03 0.00 0.01 0.00 0.00 72.50 71.59 1rac s THR 16 CO 0.00 0.32 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.42 1rac s VAL 17 N 0.26 1.70 -0.20 3.82 1.01 -0.79 -0.98 120.40 125.22 1rac s VAL 17 Ca -0.06 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 1rac s VAL 17 Cb -0.11 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1rac s VAL 17 CO 0.02 0.43 0.09 -0.63 0.00 0.00 0.00 175.10 175.01 1rac s ILE 18 N 1.43 4.99 0.28 2.22 1.01 0.16 -2.53 121.20 128.76 1rac s ILE 18 Ca 0.04 0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.77 1rac s ILE 18 Cb -0.13 -3.28 -0.06 0.00 0.01 0.00 0.00 42.46 39.00 1rac s ILE 18 CO -0.11 0.43 0.02 -0.62 0.00 0.00 0.00 174.94 174.66 1rac s ASP 19 N 0.58 2.11 -1.46 3.58 2.15 -1.04 -1.21 116.67 121.38 1rac s ASP 19 Ca 0.05 -1.29 -0.10 0.00 0.43 0.00 0.00 52.55 51.64 1rac s ASP 19 Cb -0.12 -0.04 0.04 0.00 -0.30 0.00 0.00 42.92 42.50 1rac s ASP 19 CO 0.01 -0.55 0.94 1.57 -0.17 0.00 0.00 175.17 176.97 1rac n HIS 20 N -0.55 -2.40 -2.59 -5.34 -0.00 -1.22 -2.36 115.22 100.76 1rac n HIS 20 Ca -0.03 0.83 -0.43 0.00 0.46 0.00 0.00 57.72 58.55 1rac n HIS 20 Cb 0.65 -4.36 -0.02 0.00 -0.12 0.00 0.00 29.99 26.14 1rac n HIS 20 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1rac s ILE 21 N -3.25 4.56 -1.46 3.57 1.01 -0.70 -4.43 121.20 120.50 1rac s ILE 21 Ca 0.54 1.85 0.00 0.00 0.00 0.00 0.00 60.65 63.05 1rac s ILE 21 Cb -0.26 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.02 1rac s ILE 21 CO 0.67 -0.04 0.00 -2.65 0.00 0.00 0.00 174.94 172.92 1rac n PRO 22 N 5.44 0.00 0.00 2.79 -0.02 -1.26 0.20 135.00 142.15 1rac n PRO 22 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1rac n PRO 22 Cb 0.47 -0.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.97 1rac n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rac n ALA 23 N -0.25 -1.02 0.00 3.55 0.00 -1.26 -4.80 120.51 116.73 1rac n ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rac n ALA 23 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1rac n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1rac n GLN 24 N -0.09 0.00 0.13 0.00 3.00 -1.26 -4.51 117.38 114.65 1rac n GLN 24 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1rac n GLN 24 Cb 0.00 -2.71 0.17 0.00 0.00 0.00 0.00 30.24 27.70 1rac n GLN 24 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1rac h ILE 25 N 0.00 0.00 -0.50 5.09 2.04 -1.89 -3.36 117.51 118.90 1rac h ILE 25 Ca 0.00 -0.79 0.09 0.00 1.00 0.00 0.00 64.86 65.16 1rac h ILE 25 Cb 0.00 1.56 -0.07 0.00 -0.74 0.00 0.00 36.82 37.57 1rac h ILE 25 CO 0.00 0.00 0.08 1.23 0.00 0.00 0.00 178.15 179.46 1rac h GLY 26 N 4.21 0.59 1.57 5.37 0.00 -1.87 0.13 103.07 113.08 1rac h GLY 26 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.12 1rac h GLY 26 CO 0.00 -0.09 -0.83 -2.75 0.00 0.00 0.00 176.54 172.88 1rac h PHE 27 N 0.21 0.57 -0.28 5.60 3.57 -1.96 -3.10 116.94 121.54 1rac h PHE 27 Ca 0.25 -0.28 0.04 0.00 3.53 0.00 0.00 57.97 61.51 1rac h PHE 27 Cb 0.35 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 1rac h PHE 27 CO -0.25 1.07 0.05 -0.22 -2.23 0.00 0.00 178.31 176.73 1rac h LYS 28 N 0.25 0.15 -0.15 1.11 3.64 -1.37 -1.96 116.57 118.24 1rac h LYS 28 Ca -0.05 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1rac h LYS 28 Cb 1.43 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.21 1rac h LYS 28 CO 0.14 0.10 -0.10 -0.07 -2.27 0.00 0.00 179.45 177.25 1rac h LEU 29 N 0.15 0.22 -0.45 5.20 3.38 -0.77 -0.23 115.31 122.80 1rac h LEU 29 Ca 0.13 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1rac h LEU 29 Cb 0.14 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1rac h LEU 29 CO -0.18 0.35 0.06 -0.07 0.09 0.00 0.00 178.44 178.69 1rac h LEU 30 N 0.23 0.73 0.15 1.67 3.38 -1.29 -2.40 115.31 117.78 1rac h LEU 30 Ca 0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1rac h LEU 30 Cb 0.33 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1rac h LEU 30 CO 0.02 0.81 -0.07 0.77 0.09 0.00 0.00 178.44 180.06 1rac h SER 31 N 0.61 -0.18 -0.87 -0.43 4.64 -1.06 -1.95 113.55 114.32 1rac h SER 31 Ca 0.14 0.01 0.23 0.00 -0.47 0.00 0.00 61.79 61.69 1rac h SER 31 Cb 0.40 0.05 -0.14 0.00 -0.31 0.00 0.00 62.40 62.40 1rac h SER 31 CO 0.01 0.06 0.23 -0.07 -0.87 0.00 0.00 176.83 176.20 1rac h LEU 32 N -0.58 0.00 -2.83 5.97 3.38 -1.15 0.61 115.31 120.71 1rac h LEU 32 Ca -0.02 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1rac h LEU 32 Cb 0.16 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1rac h LEU 32 CO 0.03 -0.15 0.00 0.49 0.09 0.00 0.00 178.44 178.90 1rac n PHE 33 N -5.22 0.94 -3.95 1.13 3.72 -0.90 -4.88 117.46 108.30 1rac n PHE 33 Ca 0.21 -0.52 -0.33 0.00 -0.05 0.00 0.00 57.45 56.76 1rac n PHE 33 Cb 0.68 -0.04 -0.00 0.00 -0.94 0.00 0.00 39.48 39.18 1rac n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1rac n LYS 34 N 1.34 -1.58 0.15 -1.08 5.02 0.21 -4.90 118.16 117.32 1rac n LYS 34 Ca 0.22 0.29 0.03 0.00 -2.02 0.00 0.00 58.31 56.84 1rac n LYS 34 Cb 0.62 -3.78 0.05 0.00 -0.02 0.00 0.00 35.03 31.91 1rac n LYS 34 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1rac h LEU 35 N -2.05 0.00 -0.02 -0.35 3.38 -1.61 -3.29 115.31 111.37 1rac h LEU 35 Ca -0.67 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1rac h LEU 35 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1rac h LEU 35 CO 0.57 0.45 -0.01 0.35 0.09 0.00 0.00 178.44 179.89 1rac n THR 36 N -3.23 0.00 -2.66 0.22 -2.24 -1.26 -4.37 114.28 100.75 1rac n THR 36 Ca 0.02 -0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 1rac n THR 36 Cb 0.71 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 1rac n THR 36 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rac n GLU 37 N -1.19 3.47 -3.58 -0.78 1.02 -1.24 -4.75 120.64 113.58 1rac n GLU 37 Ca 0.17 -3.68 -0.08 0.00 -0.02 0.00 0.00 57.16 53.54 1rac n GLU 37 Cb 0.21 -3.00 -0.02 0.00 -0.02 0.00 0.00 31.44 28.61 1rac n GLU 37 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1rac s THR 38 N 1.13 0.00 -2.70 2.62 -1.32 -1.26 -5.05 115.64 109.06 1rac s THR 38 Ca 0.42 -0.29 0.22 0.00 -1.21 0.00 0.00 61.69 60.84 1rac s THR 38 Cb 0.03 -1.35 0.15 0.00 -1.51 0.00 0.00 72.50 69.82 1rac s THR 38 CO 0.00 0.00 1.19 0.47 -2.21 0.00 0.00 174.62 174.08 1rac n ASP 39 N -0.36 2.76 -4.90 8.08 8.00 -1.26 -4.99 116.55 123.88 1rac n ASP 39 Ca -0.10 -1.88 -0.28 0.00 0.71 0.00 0.00 54.79 53.24 1rac n ASP 39 Cb 0.62 0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.76 1rac n ASP 39 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1rac s GLN 40 N -1.94 3.65 -0.21 -1.24 1.11 -1.26 -5.01 119.66 114.76 1rac s GLN 40 Ca 0.25 0.18 -0.35 0.00 0.01 0.00 0.00 55.36 55.46 1rac s GLN 40 Cb 0.19 -2.50 -0.11 0.00 -1.01 0.00 0.00 33.01 29.58 1rac s GLN 40 CO 0.32 0.03 2.00 -2.13 0.01 0.00 0.00 175.29 175.51 1rac n ARG 41 N -1.43 1.69 -4.55 2.91 3.00 -1.26 -4.84 116.66 112.18 1rac n ARG 41 Ca -0.00 0.57 -0.30 0.00 -0.00 0.00 0.00 57.85 58.12 1rac n ARG 41 Cb 0.54 -2.59 -0.13 0.00 0.00 0.00 0.00 32.46 30.28 1rac n ARG 41 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1rac s ILE 42 N 5.51 2.35 -0.04 5.15 1.01 -1.26 -1.44 121.20 132.49 1rac s ILE 42 Ca 1.00 -1.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 1rac s ILE 42 Cb -0.75 -2.01 0.03 0.00 0.01 0.00 0.00 42.46 39.75 1rac s ILE 42 CO 0.51 0.19 0.02 0.42 0.00 0.00 0.00 174.94 176.08 1rac s THR 43 N -0.99 0.08 0.04 2.92 -4.23 -0.68 -4.99 115.64 107.79 1rac s THR 43 Ca 0.14 0.22 0.07 0.00 -1.18 0.00 0.00 61.69 60.93 1rac s THR 43 Cb -0.10 -0.24 -0.03 0.00 1.34 0.00 0.00 72.50 73.47 1rac s THR 43 CO 0.05 0.16 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.49 1rac s ILE 44 N 1.50 2.86 -0.10 2.99 1.01 -1.26 -0.48 121.20 127.72 1rac s ILE 44 Ca -0.03 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.46 1rac s ILE 44 Cb -0.13 -2.21 0.02 0.00 0.01 0.00 0.00 42.46 40.16 1rac s ILE 44 CO -0.03 0.34 -0.08 -0.83 0.00 0.00 0.00 174.94 174.34 1rac s GLY 45 N -1.45 0.78 0.03 6.18 0.00 -0.80 -5.03 107.32 107.03 1rac s GLY 45 Ca 0.15 -0.47 0.09 0.00 0.00 0.00 0.00 44.72 44.49 1rac s GLY 45 CO 0.06 0.66 -0.26 1.08 0.00 0.00 0.00 173.10 174.64 1rac s LEU 46 N 1.46 2.16 -1.40 0.66 1.43 -1.26 -2.16 118.68 119.57 1rac s LEU 46 Ca 0.00 -0.56 -0.07 0.00 -1.03 0.00 0.00 54.13 52.47 1rac s LEU 46 Cb -0.13 -1.31 0.04 0.00 0.03 0.00 0.00 46.19 44.82 1rac s LEU 46 CO -0.05 0.27 0.92 0.59 0.23 0.00 0.00 176.35 178.31 1rac n ASN 47 N 1.91 -3.60 -4.77 2.29 3.02 -1.09 -4.94 115.26 108.07 1rac n ASN 47 Ca -0.17 -0.74 -0.38 0.00 -0.03 0.00 0.00 54.58 53.26 1rac n ASN 47 Cb 0.52 -4.23 -0.05 0.00 -0.61 0.00 0.00 39.78 35.41 1rac n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rac s LEU 48 N -7.01 4.35 -0.02 3.41 1.43 0.17 -4.81 118.68 116.20 1rac s LEU 48 Ca 0.38 2.06 -0.30 0.00 -1.03 0.00 0.00 54.13 55.23 1rac s LEU 48 Cb -0.18 -3.93 -0.05 0.00 0.03 0.00 0.00 46.19 42.07 1rac s LEU 48 CO 0.80 -0.24 1.33 -2.84 0.23 0.00 0.00 176.35 175.63 1rac s PRO 49 N -1.96 4.31 -0.71 1.29 0.02 -1.26 0.14 135.00 136.82 1rac s PRO 49 Ca 0.51 1.86 0.04 0.00 0.02 0.00 0.00 61.00 63.43 1rac s PRO 49 Cb -0.25 -3.57 0.23 0.00 0.02 0.00 0.00 34.50 30.93 1rac s PRO 49 CO 0.31 -0.53 0.76 0.45 -0.33 0.00 0.00 177.00 177.65 1rac n SER 50 N 5.34 3.86 -0.33 2.53 2.88 -0.89 -4.84 113.62 122.17 1rac n SER 50 Ca 0.12 -3.37 0.26 0.00 -1.33 0.00 0.00 58.87 54.55 1rac n SER 50 Cb 0.45 -0.77 0.49 0.00 -0.75 0.00 0.00 64.21 63.63 1rac n SER 50 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1rac h GLY 51 N 4.69 2.00 2.00 0.46 0.00 -1.91 0.80 103.07 111.12 1rac h GLY 51 Ca 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 1rac h GLY 51 CO 0.85 -0.65 -0.04 1.05 0.00 0.00 0.00 176.54 177.75 1rac h GLU 52 N 0.10 0.00 -0.26 4.80 4.11 -2.01 -3.20 114.58 118.12 1rac h GLU 52 Ca 0.76 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.98 1rac h GLU 52 Cb 1.87 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.77 1rac h GLU 52 CO -0.74 0.04 -0.93 -1.33 0.07 0.00 0.00 179.01 176.11 1rac n MET 53 N -3.21 1.25 0.00 1.06 2.81 0.92 -5.10 117.12 114.85 1rac n MET 53 Ca -0.01 -2.74 0.00 0.00 -1.81 0.00 0.00 57.70 53.14 1rac n MET 53 Cb 0.24 -0.88 0.00 0.00 -0.71 0.00 0.00 33.22 31.87 1rac n MET 53 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rac n GLY 54 N -0.50 1.73 3.24 3.03 0.00 0.24 -4.77 105.19 108.16 1rac n GLY 54 Ca 0.01 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 1rac n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rac s ARG 55 N 0.00 1.02 0.16 1.61 0.52 -1.25 -2.10 118.95 118.91 1rac s ARG 55 Ca 0.00 -1.28 -0.24 0.00 -0.52 0.00 0.00 55.73 53.70 1rac s ARG 55 Cb 0.00 0.31 0.07 0.00 0.52 0.00 0.00 34.95 35.85 1rac s ARG 55 CO 0.00 -0.33 1.01 -1.59 0.02 0.00 0.00 175.30 174.41 1rac s LYS 56 N -3.99 1.23 0.40 3.54 -2.85 0.12 -4.45 119.74 113.73 1rac s LYS 56 Ca 0.19 -0.74 0.04 0.00 -1.00 0.00 0.00 55.97 54.45 1rac s LYS 56 Cb 0.05 0.38 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 1rac s LYS 56 CO -0.00 -0.57 0.07 -0.51 0.10 0.00 0.00 175.35 174.44 1rac s ASP 57 N -3.17 3.00 -0.29 0.03 1.01 0.13 0.42 116.67 117.80 1rac s ASP 57 Ca 0.17 -1.54 -0.17 0.00 0.71 0.00 0.00 52.55 51.73 1rac s ASP 57 Cb -0.02 0.21 0.13 0.00 1.01 0.00 0.00 42.92 44.25 1rac s ASP 57 CO 0.04 -0.75 0.90 -0.22 0.21 0.00 0.00 175.17 175.35 1rac s LEU 58 N -3.62 -0.62 -0.06 1.23 0.20 -0.92 -1.72 118.68 113.17 1rac s LEU 58 Ca 0.26 1.00 0.06 0.00 0.69 0.00 0.00 54.13 56.14 1rac s LEU 58 Cb 0.05 1.92 -0.01 0.00 -0.43 0.00 0.00 46.19 47.72 1rac s LEU 58 CO 0.13 -0.16 -0.24 -0.63 -0.29 0.00 0.00 176.35 175.16 1rac s ILE 59 N 1.34 1.99 -0.24 6.68 1.01 -0.35 -1.91 121.20 129.73 1rac s ILE 59 Ca -0.08 -1.03 -0.02 0.00 0.00 0.00 0.00 60.65 59.51 1rac s ILE 59 Cb -0.04 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.75 1rac s ILE 59 CO -0.15 0.55 -0.06 -0.75 0.00 0.00 0.00 174.94 174.53 1rac s LYS 60 N -0.08 3.04 -0.15 2.79 2.47 0.37 -0.66 119.74 127.52 1rac s LYS 60 Ca -0.06 -0.84 0.02 0.00 -1.56 0.00 0.00 55.97 53.53 1rac s LYS 60 Cb -0.14 -2.98 0.01 0.00 -1.46 0.00 0.00 37.83 33.27 1rac s LYS 60 CO 0.04 -0.32 -0.21 0.42 0.16 0.00 0.00 175.35 175.45 1rac s ILE 61 N 1.38 2.01 0.04 5.43 1.01 -0.15 -1.69 121.20 129.24 1rac s ILE 61 Ca 0.03 -0.94 -0.19 0.00 0.00 0.00 0.00 60.65 59.55 1rac s ILE 61 Cb -0.16 -1.80 -0.06 0.00 0.01 0.00 0.00 42.46 40.45 1rac s ILE 61 CO -0.05 0.54 0.54 -0.70 0.00 0.00 0.00 174.94 175.27 1rac s GLU 62 N 1.02 4.17 -1.44 2.79 2.12 -0.52 -1.03 118.70 125.83 1rac s GLU 62 Ca -0.02 0.67 -0.09 0.00 0.36 0.00 0.00 54.97 55.89 1rac s GLU 62 Cb -0.14 -3.26 0.03 0.00 0.26 0.00 0.00 34.13 31.02 1rac s GLU 62 CO -0.06 0.60 1.00 0.09 -0.54 0.00 0.00 175.26 176.35 1rac n ASN 63 N 1.94 -5.87 -3.93 -1.70 3.02 0.40 -4.62 115.26 104.49 1rac n ASN 63 Ca -0.10 -0.54 -0.15 0.00 -0.03 0.00 0.00 54.58 53.75 1rac n ASN 63 Cb 0.51 -4.66 -0.14 0.00 -0.61 0.00 0.00 39.78 34.87 1rac n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1rac s THR 64 N -3.27 0.29 -0.40 3.41 2.01 -1.26 -4.96 115.64 111.45 1rac s THR 64 Ca 0.55 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.41 1rac s THR 64 Cb -0.25 -0.25 0.14 0.00 0.01 0.00 0.00 72.50 72.15 1rac s THR 64 CO 0.68 0.09 0.25 -0.36 -0.69 0.00 0.00 174.62 174.58 1rac s PHE 65 N -0.05 1.33 -0.22 4.92 0.08 -1.26 -2.76 117.98 120.01 1rac s PHE 65 Ca 0.01 -2.07 -0.28 0.00 0.12 0.00 0.00 56.93 54.71 1rac s PHE 65 Cb -0.02 -1.34 0.01 0.00 -0.57 0.00 0.00 43.02 41.10 1rac s PHE 65 CO -0.00 -0.80 1.00 -1.17 -0.10 0.00 0.00 175.22 174.15 1rac s LEU 66 N 0.59 4.11 0.33 -0.37 0.20 -1.26 -5.00 118.68 117.28 1rac s LEU 66 Ca 0.20 1.33 -0.08 0.00 0.69 0.00 0.00 54.13 56.27 1rac s LEU 66 Cb -0.19 -3.48 0.01 0.00 -0.43 0.00 0.00 46.19 42.10 1rac s LEU 66 CO -0.02 -0.63 0.54 -0.44 -0.29 0.00 0.00 176.35 175.51 1rac s SER 67 N 1.22 0.45 0.76 3.68 0.01 -1.26 -4.69 113.70 113.86 1rac s SER 67 Ca 0.43 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 56.43 1rac s SER 67 Cb -0.15 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.76 1rac s SER 67 CO 0.07 -1.34 0.00 -0.62 0.41 0.00 0.00 173.24 171.76 1rac n GLU 68 N -0.51 0.00 -0.00 12.44 1.02 -1.26 -1.07 120.64 131.26 1rac n GLU 68 Ca -0.02 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.03 1rac n GLU 68 Cb 0.61 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.00 1rac n GLU 68 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1rac h ASP 69 N 0.00 -0.61 -0.97 1.62 2.03 -1.99 -2.85 116.42 113.65 1rac h ASP 69 Ca 0.00 0.11 0.13 0.00 -0.73 0.00 0.00 57.03 56.53 1rac h ASP 69 Cb 0.00 0.28 -0.08 0.00 -0.83 0.00 0.00 39.33 38.70 1rac h ASP 69 CO 0.00 -0.25 0.61 1.56 -1.03 0.00 0.00 179.24 180.14 1rac h GLN 70 N -0.24 0.87 -0.25 4.15 4.20 -1.46 0.14 115.11 122.52 1rac h GLN 70 Ca 0.10 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 1rac h GLN 70 Cb 0.39 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1rac h GLN 70 CO -0.28 0.58 -0.10 0.28 -0.67 0.00 0.00 178.83 178.64 1rac h VAL 71 N 0.90 1.30 0.00 -0.54 2.07 -1.67 -3.13 116.25 115.18 1rac h VAL 71 Ca 0.48 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1rac h VAL 71 Cb 0.56 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1rac h VAL 71 CO -0.25 0.36 -0.03 0.44 0.02 0.00 0.00 177.57 178.11 1rac h ASP 72 N 0.23 0.00 -0.26 0.57 5.19 -0.52 -2.43 116.42 119.20 1rac h ASP 72 Ca 0.06 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.43 1rac h ASP 72 Cb 0.59 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 1rac h ASP 72 CO 0.03 0.03 0.04 -0.61 -3.12 0.00 0.00 179.24 175.62 1rac h GLN 73 N 0.00 0.53 0.00 3.56 5.75 -1.33 -2.37 115.11 121.26 1rac h GLN 73 Ca -0.00 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 1rac h GLN 73 Cb 0.06 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.53 1rac h GLN 73 CO 0.00 0.52 0.00 1.28 -2.65 0.00 0.00 178.83 177.99 1rac n LEU 74 N -4.31 0.58 0.22 -2.39 4.77 -0.91 -2.99 117.00 111.97 1rac n LEU 74 Ca 0.02 0.68 0.12 0.00 -0.03 0.00 0.00 56.01 56.80 1rac n LEU 74 Cb 0.21 -0.64 0.73 0.00 -2.33 0.00 0.00 43.42 41.39 1rac n LEU 74 CO 0.38 -0.66 1.11 0.00 -1.33 0.00 0.00 177.39 176.89 1rac h ALA 75 N 2.19 1.95 0.00 -1.18 0.00 -1.56 0.03 119.26 120.69 1rac h ALA 75 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1rac h ALA 75 Cb 0.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1rac h ALA 75 CO 0.00 -0.13 -0.20 1.25 0.00 0.00 0.00 179.25 180.17 1rac h LEU 76 N 0.00 0.00 0.00 0.00 5.85 -1.77 -3.32 115.31 116.07 1rac h LEU 76 Ca 0.05 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.43 1rac h LEU 76 Cb 0.20 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 1rac h LEU 76 CO -0.00 0.20 -2.11 -1.22 -0.34 0.00 0.00 178.44 174.98 1rac n TYR 77 N -3.40 0.00 -3.23 1.25 4.01 -0.17 -4.80 117.16 110.82 1rac n TYR 77 Ca -0.00 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.48 1rac n TYR 77 Cb 0.40 -0.72 -0.06 0.00 -0.31 0.00 0.00 39.34 38.65 1rac n TYR 77 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rac n ALA 78 N -3.91 3.92 0.32 -0.72 0.00 -0.23 -4.92 120.51 114.98 1rac n ALA 78 Ca -0.39 -4.49 0.20 0.00 0.00 0.00 0.00 53.44 48.75 1rac n ALA 78 Cb 0.78 -0.84 1.06 0.00 0.00 0.00 0.00 19.45 20.45 1rac n ALA 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1rac h PRO 79 N 3.70 0.00 -2.52 0.00 0.11 -1.74 -2.74 132.00 128.80 1rac h PRO 79 Ca 0.16 0.00 -0.75 0.00 0.11 0.00 0.00 66.00 65.52 1rac h PRO 79 Cb 0.66 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.45 1rac h PRO 79 CO 0.76 0.00 0.47 0.00 -0.21 0.00 0.00 178.00 179.02 1rac n GLN 80 N -3.17 4.32 -4.15 1.05 10.64 -1.26 -4.67 117.38 120.13 1rac n GLN 80 Ca -0.02 -4.65 -0.18 0.00 -1.83 0.00 0.00 57.00 50.32 1rac n GLN 80 Cb 0.18 -2.43 -0.15 0.00 -0.86 0.00 0.00 30.24 26.98 1rac n GLN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1rac s ALA 81 N -3.29 0.54 -0.26 2.61 0.00 -1.03 -4.53 121.76 115.79 1rac s ALA 81 Ca 0.37 -0.10 -0.08 0.00 0.00 0.00 0.00 51.96 52.15 1rac s ALA 81 Cb 0.13 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1rac s ALA 81 CO -0.01 0.04 0.08 0.95 0.00 0.00 0.00 175.76 176.82 1rac s THR 82 N 0.46 4.36 0.21 0.00 -4.23 -1.00 -3.98 115.64 111.46 1rac s THR 82 Ca -0.05 -0.20 -0.14 0.00 -1.18 0.00 0.00 61.69 60.12 1rac s THR 82 Cb -0.09 -3.06 -0.08 0.00 1.34 0.00 0.00 72.50 70.61 1rac s THR 82 CO -0.00 0.31 0.61 -0.69 -0.54 0.00 0.00 174.62 174.31 1rac s VAL 83 N 1.62 4.79 -0.02 2.29 1.01 0.79 -2.49 120.40 128.39 1rac s VAL 83 Ca 0.06 0.84 -0.00 0.00 0.00 0.00 0.00 61.98 62.88 1rac s VAL 83 Cb -0.15 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.55 1rac s VAL 83 CO 0.04 0.08 0.03 0.20 0.00 0.00 0.00 175.10 175.46 1rac s ASN 84 N -1.96 0.30 0.61 3.32 0.01 -1.05 0.13 114.94 116.29 1rac s ASN 84 Ca 0.44 0.04 -0.01 0.00 -0.71 0.00 0.00 52.86 52.61 1rac s ASN 84 Cb -0.13 -0.10 0.05 0.00 0.41 0.00 0.00 41.25 41.47 1rac s ASN 84 CO 0.20 -0.15 0.86 0.00 -1.51 0.00 0.00 177.10 176.50 1rac s ARG 85 N 1.25 2.37 -0.16 -0.60 3.03 -0.18 -1.89 118.95 122.78 1rac s ARG 85 Ca -0.07 -0.66 -0.06 0.00 2.03 0.00 0.00 55.73 56.97 1rac s ARG 85 Cb -0.13 -2.38 0.07 0.00 -1.03 0.00 0.00 34.95 31.48 1rac s ARG 85 CO -0.03 -0.93 0.33 0.42 -1.13 0.00 0.00 175.30 173.96 1rac s ILE 86 N -2.93 -0.43 -0.20 4.99 1.01 -0.71 -2.21 121.20 120.73 1rac s ILE 86 Ca 0.59 0.21 0.17 0.00 0.00 0.00 0.00 60.65 61.62 1rac s ILE 86 Cb -0.10 -0.53 -0.24 0.00 0.01 0.00 0.00 42.46 41.59 1rac s ILE 86 CO 0.41 0.09 0.06 -0.90 0.00 0.00 0.00 174.94 174.59 1rac n ASP 87 N 5.16 0.13 -3.14 3.58 5.75 -1.24 -0.42 116.55 126.36 1rac n ASP 87 Ca -0.10 -0.00 0.04 0.00 -0.01 0.00 0.00 54.79 54.71 1rac n ASP 87 Cb 0.50 0.94 -0.00 0.00 -1.03 0.00 0.00 41.12 41.54 1rac n ASP 87 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1rac s ASN 88 N -5.49 -1.15 0.00 -1.12 0.01 -0.93 -4.55 114.94 101.71 1rac s ASN 88 Ca -0.11 0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.09 1rac s ASN 88 Cb 0.06 1.69 0.00 0.00 0.41 0.00 0.00 41.25 43.41 1rac s ASN 88 CO 0.81 -0.20 0.00 -1.22 -1.51 0.00 0.00 177.10 174.98 1rac n TYR 89 N 5.14 0.00 -3.92 2.20 4.01 0.52 -4.83 117.16 120.28 1rac n TYR 89 Ca 0.07 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.72 1rac n TYR 89 Cb 0.56 -0.67 -0.05 0.00 -0.31 0.00 0.00 39.34 38.87 1rac n TYR 89 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1rac s GLU 90 N -0.17 1.44 -0.28 -0.72 0.41 -1.26 -4.97 118.70 113.14 1rac s GLU 90 Ca 0.00 -1.13 -0.42 0.00 -0.41 0.00 0.00 54.97 53.01 1rac s GLU 90 Cb 0.00 0.47 -0.18 0.00 -1.78 0.00 0.00 34.13 32.64 1rac s GLU 90 CO 0.00 -0.59 1.56 0.28 -0.49 0.00 0.00 175.26 176.02 1rac n VAL 91 N -0.34 0.12 -2.87 2.63 0.31 -1.26 -3.73 118.33 113.18 1rac n VAL 91 Ca -0.05 -0.02 -0.17 0.00 -0.01 0.00 0.00 64.34 64.09 1rac n VAL 91 Cb 0.62 -0.75 -0.01 0.00 -0.91 0.00 0.00 33.84 32.80 1rac n VAL 91 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1rac n VAL 92 N 3.73 0.99 0.00 2.52 3.14 -0.94 -4.97 118.33 122.81 1rac n VAL 92 Ca 0.26 -4.19 0.00 0.00 -2.96 0.00 0.00 64.34 57.46 1rac n VAL 92 Cb 0.06 -0.18 0.00 0.00 -1.06 0.00 0.00 33.84 32.66 1rac n VAL 92 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1rac n GLY 93 N -0.01 4.11 2.64 7.55 0.00 -1.26 -4.61 105.19 113.61 1rac n GLY 93 Ca 0.22 -1.10 -0.24 0.00 0.00 0.00 0.00 46.02 44.90 1rac n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rac s LYS 94 N -5.10 0.17 -0.06 1.61 2.20 -1.26 -1.01 119.74 116.30 1rac s LYS 94 Ca 0.00 -0.19 -0.01 0.00 -0.36 0.00 0.00 55.97 55.41 1rac s LYS 94 Cb 0.00 -1.29 -0.03 0.00 -1.51 0.00 0.00 37.83 35.00 1rac s LYS 94 CO 0.00 -0.85 0.01 -1.12 -0.36 0.00 0.00 175.35 173.04 1rac s SER 95 N 2.20 5.29 -0.04 1.43 0.01 0.12 -4.93 113.70 117.77 1rac s SER 95 Ca 0.07 0.12 -0.02 0.00 1.31 0.00 0.00 55.95 57.43 1rac s SER 95 Cb -0.16 -1.47 -0.04 0.00 0.21 0.00 0.00 66.02 64.56 1rac s SER 95 CO -0.23 0.34 0.07 -0.60 0.41 0.00 0.00 173.24 173.23 1rac s ARG 96 N -1.14 3.11 -0.29 12.44 6.06 -1.26 -0.15 118.95 137.72 1rac s ARG 96 Ca 0.16 -0.41 -0.40 0.00 -2.50 0.00 0.00 55.73 52.58 1rac s ARG 96 Cb -0.11 -2.90 -0.15 0.00 0.06 0.00 0.00 34.95 31.84 1rac s ARG 96 CO 0.05 0.68 1.81 -2.30 -2.50 0.00 0.00 175.30 173.05 1rac n PRO 97 N 1.55 1.13 -4.21 5.12 -0.02 -1.26 -4.89 135.00 132.43 1rac n PRO 97 Ca -0.16 0.41 -0.30 0.00 -2.02 0.00 0.00 63.50 61.43 1rac n PRO 97 Cb 0.53 -2.13 -0.09 0.00 -0.02 0.00 0.00 33.50 31.79 1rac n PRO 97 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1rac s SER 98 N 4.02 4.52 0.19 2.55 1.04 -1.26 -4.88 113.70 119.88 1rac s SER 98 Ca 1.00 -0.34 -0.31 0.00 0.48 0.00 0.00 55.95 56.77 1rac s SER 98 Cb -1.06 -0.91 -0.10 0.00 0.10 0.00 0.00 66.02 64.05 1rac s SER 98 CO 0.64 0.18 1.57 -0.22 0.98 0.00 0.00 173.24 176.38 1rac s LEU 99 N -2.22 4.37 0.00 2.42 2.96 -1.26 -4.56 118.68 120.39 1rac s LEU 99 Ca 0.22 2.67 -0.02 0.00 -0.22 0.00 0.00 54.13 56.77 1rac s LEU 99 Cb -0.11 -3.60 0.04 0.00 0.50 0.00 0.00 46.19 43.02 1rac s LEU 99 CO 0.15 -0.83 0.24 -0.81 -1.32 0.00 0.00 176.35 173.78 1rac n PRO 100 N 3.64 -0.04 0.12 0.98 -0.04 -1.26 -5.01 135.00 133.39 1rac n PRO 100 Ca 0.13 -0.43 -0.24 0.00 -0.04 0.00 0.00 63.50 62.92 1rac n PRO 100 Cb 0.38 -0.22 -0.15 0.00 -0.04 0.00 0.00 33.50 33.46 1rac n PRO 100 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1rac h GLU 101 N 0.00 0.47 -3.86 0.54 4.57 -1.94 -3.44 114.58 110.92 1rac h GLU 101 Ca -0.08 -0.81 -0.10 0.00 -1.18 0.00 0.00 59.36 57.19 1rac h GLU 101 Cb 0.23 0.30 -0.15 0.00 -0.16 0.00 0.00 28.75 28.97 1rac h GLU 101 CO 0.06 1.38 -0.47 0.50 -1.18 0.00 0.00 179.01 179.31 1rac s ARG 102 N -2.60 0.72 -0.18 1.92 3.52 -1.26 -2.60 118.95 118.48 1rac s ARG 102 Ca -0.11 -0.93 -0.00 0.00 -0.13 0.00 0.00 55.73 54.56 1rac s ARG 102 Cb 0.05 0.29 0.04 0.00 -1.56 0.00 0.00 34.95 33.77 1rac s ARG 102 CO 0.91 -0.20 -0.06 0.42 -0.81 0.00 0.00 175.30 175.56 1rac s ILE 103 N -3.44 1.25 0.23 4.11 1.01 -0.18 -4.92 121.20 119.26 1rac s ILE 103 Ca 0.02 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 59.96 1rac s ILE 103 Cb 0.03 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 1rac s ILE 103 CO -0.09 0.11 0.32 -1.81 0.00 0.00 0.00 174.94 173.48 1rac s ASP 104 N 1.57 6.18 0.00 3.58 1.01 -1.26 -0.91 116.67 126.83 1rac s ASP 104 Ca -0.00 0.02 0.00 0.00 0.71 0.00 0.00 52.55 53.28 1rac s ASP 104 Cb -0.16 -1.78 0.00 0.00 1.01 0.00 0.00 42.92 41.99 1rac s ASP 104 CO -0.08 -0.05 0.00 0.59 0.21 0.00 0.00 175.17 175.84 1rac n ASN 105 N -1.28 0.00 -4.74 0.27 3.02 -0.19 -4.82 115.26 107.53 1rac n ASN 105 Ca -0.09 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.07 1rac n ASN 105 Cb 0.57 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.69 1rac n ASN 105 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1rac s VAL 106 N 0.00 4.82 0.00 2.41 1.01 -1.26 -4.51 120.40 122.87 1rac s VAL 106 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.54 1rac s VAL 106 Cb 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1rac s VAL 106 CO 0.00 0.34 0.00 0.18 0.00 0.00 0.00 175.10 175.62 1rac n LEU 107 N 3.03 0.00 -3.94 3.92 4.77 -1.26 -4.90 117.00 118.62 1rac n LEU 107 Ca -0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 1rac n LEU 107 Cb 0.51 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.46 1rac n LEU 107 CO 0.47 0.00 -0.38 -0.69 -1.33 0.00 0.00 177.39 175.46 1rac s VAL 108 N -2.46 0.22 -0.15 4.08 1.01 -1.26 -4.77 120.40 117.07 1rac s VAL 108 Ca 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 1rac s VAL 108 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 1rac s VAL 108 CO 0.00 -0.10 1.37 0.00 0.00 0.00 0.00 175.10 176.37 1rac h PRO 110 N 8.66 0.00 -6.14 0.00 0.11 -1.91 -3.41 132.00 129.31 1rac h PRO 110 Ca -0.30 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.27 1rac h PRO 110 Cb 1.12 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1rac h PRO 110 CO 0.97 0.00 1.32 1.21 -0.21 0.00 0.00 178.00 181.29 1rac s ASN 111 N -5.30 5.62 0.54 -2.05 3.84 -1.26 -4.87 114.94 111.46 1rac s ASN 111 Ca -0.05 0.96 0.27 0.00 0.21 0.00 0.00 52.86 54.25 1rac s ASN 111 Cb 0.20 -2.53 1.55 0.00 -0.55 0.00 0.00 41.25 39.92 1rac s ASN 111 CO 0.70 -1.99 2.14 0.77 -2.79 0.00 0.00 177.10 175.93 1rac h SER 112 N 13.89 0.00 -0.16 -4.21 4.64 -2.04 -1.79 113.55 123.88 1rac h SER 112 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1rac h SER 112 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1rac h SER 112 CO 1.10 0.08 0.00 -3.20 -0.87 0.00 0.00 176.83 173.94 1rac n ASN 113 N -3.81 1.54 -4.77 4.97 5.15 -1.26 -4.92 115.26 112.16 1rac n ASN 113 Ca -0.02 -1.71 -0.37 0.00 -0.60 0.00 0.00 54.58 51.88 1rac n ASN 113 Cb 0.17 -0.10 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 1rac n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rac h ILE 115 N 1.63 0.50 -0.18 0.00 6.09 -1.91 -3.28 117.51 120.37 1rac h ILE 115 Ca -0.50 -1.17 0.05 0.00 -1.37 0.00 0.00 64.86 61.87 1rac h ILE 115 Cb 1.26 1.82 -0.01 0.00 0.47 0.00 0.00 36.82 40.37 1rac h ILE 115 CO 0.59 0.22 0.38 0.77 -3.07 0.00 0.00 178.15 177.03 1rac h SER 116 N 0.00 0.00 -0.32 2.19 4.64 -1.92 -2.82 113.55 115.32 1rac h SER 116 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1rac h SER 116 Cb 0.81 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 1rac h SER 116 CO 0.03 0.00 -0.02 0.45 -0.87 0.00 0.00 176.83 176.42 1rac h HIS 117 N 0.00 0.64 -0.01 4.77 3.86 -1.92 -3.28 115.15 119.21 1rac h HIS 117 Ca 0.08 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1rac h HIS 117 Cb 0.84 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1rac h HIS 117 CO 0.00 0.72 -0.23 0.00 0.86 0.00 0.00 177.93 179.28 1rac n ALA 118 N -2.39 3.03 -2.44 2.45 0.00 -1.06 -4.99 120.51 115.10 1rac n ALA 118 Ca -0.02 -0.45 -0.24 0.00 0.00 0.00 0.00 53.44 52.72 1rac n ALA 118 Cb 0.28 -1.09 -0.11 0.00 0.00 0.00 0.00 19.45 18.54 1rac n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1rac s GLU 119 N -2.39 1.55 -0.01 0.00 0.41 -1.24 -5.04 118.70 111.98 1rac s GLU 119 Ca 0.26 -1.63 -0.01 0.00 -0.41 0.00 0.00 54.97 53.18 1rac s GLU 119 Cb 0.19 -1.70 -0.06 0.00 -1.78 0.00 0.00 34.13 30.78 1rac s GLU 119 CO 0.48 0.34 1.24 -0.35 -0.49 0.00 0.00 175.26 176.48 1rac n PRO 120 N -0.18 0.48 -4.51 0.39 -0.04 -1.26 -4.83 135.00 125.05 1rac n PRO 120 Ca -0.09 -0.25 -0.26 0.00 -0.04 0.00 0.00 63.50 62.86 1rac n PRO 120 Cb 0.58 -1.63 -0.13 0.00 -0.04 0.00 0.00 33.50 32.28 1rac n PRO 120 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1rac s VAL 121 N 2.57 1.88 -0.16 0.52 0.11 -1.26 -5.10 120.40 118.95 1rac s VAL 121 Ca 0.16 -1.46 -0.13 0.00 -2.93 0.00 0.00 61.98 57.62 1rac s VAL 121 Cb 0.07 -1.66 -0.05 0.00 -1.53 0.00 0.00 36.38 33.22 1rac s VAL 121 CO -0.00 0.12 0.26 -0.44 -3.33 0.00 0.00 175.10 171.71 1rac s SER 122 N -1.61 6.40 0.83 3.54 0.01 -1.26 -5.04 113.70 116.58 1rac s SER 122 Ca 0.09 0.47 -0.12 0.00 1.31 0.00 0.00 55.95 57.70 1rac s SER 122 Cb -0.10 -2.16 0.10 0.00 0.21 0.00 0.00 66.02 64.07 1rac s SER 122 CO 0.03 0.14 1.17 -0.94 0.41 0.00 0.00 173.24 174.05 1rac s SER 123 N 0.32 3.50 -0.27 2.44 1.04 -1.26 -4.76 113.70 114.71 1rac s SER 123 Ca 0.15 2.24 -0.14 0.00 0.48 0.00 0.00 55.95 58.69 1rac s SER 123 Cb -0.13 -2.57 0.09 0.00 0.10 0.00 0.00 66.02 63.51 1rac s SER 123 CO 0.03 -2.72 0.64 -0.55 0.98 0.00 0.00 173.24 171.62 1rac s SER 124 N -2.46 -0.93 0.02 7.02 0.15 -1.26 -1.02 113.70 115.22 1rac s SER 124 Ca 0.70 1.45 0.06 0.00 0.70 0.00 0.00 55.95 58.85 1rac s SER 124 Cb -0.25 1.54 -0.02 0.00 -1.71 0.00 0.00 66.02 65.58 1rac s SER 124 CO 0.53 -0.23 -0.17 -0.36 1.20 0.00 0.00 173.24 174.21 1rac s PHE 125 N 1.95 1.51 -0.19 3.44 0.40 -0.09 -1.96 117.98 123.04 1rac s PHE 125 Ca -0.09 -0.32 -0.14 0.00 -0.60 0.00 0.00 56.93 55.78 1rac s PHE 125 Cb -0.07 -0.93 -0.04 0.00 0.51 0.00 0.00 43.02 42.48 1rac s PHE 125 CO -0.19 0.02 0.30 0.00 0.70 0.00 0.00 175.22 176.06 1rac s ALA 126 N -0.62 3.58 0.08 5.36 0.00 -0.16 -1.01 121.76 128.99 1rac s ALA 126 Ca 0.05 -0.56 -0.21 0.00 0.00 0.00 0.00 51.96 51.24 1rac s ALA 126 Cb -0.07 -2.46 -0.07 0.00 0.00 0.00 0.00 23.12 20.52 1rac s ALA 126 CO 0.01 -0.09 0.63 0.08 0.00 0.00 0.00 175.76 176.39 1rac s VAL 127 N 0.85 4.69 -0.24 0.00 1.01 -1.07 -1.01 120.40 124.64 1rac s VAL 127 Ca 0.16 1.35 -0.07 0.00 0.00 0.00 0.00 61.98 63.42 1rac s VAL 127 Cb -0.14 -3.97 0.11 0.00 0.00 0.00 0.00 36.38 32.39 1rac s VAL 127 CO 0.05 0.51 0.49 -0.60 0.00 0.00 0.00 175.10 175.55 1rac s ARG 128 N -0.88 0.41 -0.62 2.72 3.52 -0.21 -4.92 118.95 118.97 1rac s ARG 128 Ca 0.31 1.08 -0.22 0.00 -0.13 0.00 0.00 55.73 56.78 1rac s ARG 128 Cb -0.20 0.39 0.07 0.00 -1.56 0.00 0.00 34.95 33.65 1rac s ARG 128 CO 0.20 -0.32 0.87 0.21 -0.81 0.00 0.00 175.30 175.46 1rac s LYS 129 N 2.70 3.12 -1.22 5.12 2.20 -1.26 0.30 119.74 130.70 1rac s LYS 129 Ca 0.01 -0.88 -0.16 0.00 -0.36 0.00 0.00 55.97 54.58 1rac s LYS 129 Cb -0.13 -4.20 0.13 0.00 -1.51 0.00 0.00 37.83 32.12 1rac s LYS 129 CO -0.15 -1.66 1.52 0.50 -0.36 0.00 0.00 175.35 175.19 1rac s ARG 130 N 3.61 4.03 0.00 4.03 3.00 0.48 -4.83 118.95 129.27 1rac s ARG 130 Ca 0.20 -2.33 0.00 0.00 -1.00 0.00 0.00 55.73 52.60 1rac s ARG 130 Cb -0.18 -5.21 0.00 0.00 0.00 0.00 0.00 34.95 29.55 1rac s ARG 130 CO 0.10 -1.93 0.00 0.00 0.00 0.00 0.00 175.30 173.47 1rac n ALA 131 N 6.63 0.00 0.00 6.12 0.00 -1.26 -0.20 120.51 131.80 1rac n ALA 131 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1rac n ALA 131 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1rac n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1rac n ASN 132 N 0.00 0.00 -3.15 0.00 5.15 -1.26 -5.14 115.26 110.86 1rac n ASN 132 Ca 0.00 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.87 1rac n ASN 132 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.24 1rac n ASN 132 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1rac s ASP 133 N 0.00 0.32 -0.19 1.20 -4.77 0.72 -5.14 116.67 108.80 1rac s ASP 133 Ca 0.00 -1.23 -0.02 0.00 -3.30 0.00 0.00 52.55 48.01 1rac s ASP 133 Cb 0.00 0.76 0.00 0.00 -1.09 0.00 0.00 42.92 42.59 1rac s ASP 133 CO 0.00 -1.50 -0.11 -0.63 0.70 0.00 0.00 175.17 173.63 1rac s ILE 134 N -2.77 2.86 0.07 2.11 1.01 -1.26 0.18 121.20 123.39 1rac s ILE 134 Ca 0.21 -0.68 -0.09 0.00 0.00 0.00 0.00 60.65 60.09 1rac s ILE 134 Cb -0.03 -2.26 -0.06 0.00 0.01 0.00 0.00 42.46 40.13 1rac s ILE 134 CO 0.14 0.48 0.37 0.00 0.00 0.00 0.00 174.94 175.93 1rac s ALA 135 N 1.26 3.76 -0.14 9.38 0.00 0.15 -0.07 121.76 136.08 1rac s ALA 135 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1rac s ALA 135 Cb -0.14 -2.22 0.03 0.00 0.00 0.00 0.00 23.12 20.79 1rac s ALA 135 CO -0.05 0.59 -0.11 -0.51 0.00 0.00 0.00 175.76 175.68 1rac s LEU 136 N -1.91 1.57 -0.22 0.00 1.43 -0.27 -1.04 118.68 118.24 1rac s LEU 136 Ca 0.32 -0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 52.85 1rac s LEU 136 Cb -0.14 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 1rac s LEU 136 CO 0.18 -0.10 0.10 -0.75 0.23 0.00 0.00 176.35 176.02 1rac s LYS 137 N 1.56 3.94 0.26 1.70 2.20 -0.18 -1.27 119.74 127.95 1rac s LYS 137 Ca 0.04 -0.35 -0.30 0.00 -0.36 0.00 0.00 55.97 55.01 1rac s LYS 137 Cb -0.13 -3.37 -0.10 0.00 -1.51 0.00 0.00 37.83 32.72 1rac s LYS 137 CO -0.09 0.08 1.31 0.00 -0.36 0.00 0.00 175.35 176.28 1rac h LYS 139 N 4.55 0.00 0.00 0.00 2.10 -1.75 -1.48 116.57 119.99 1rac h LYS 139 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1rac h LYS 139 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1rac h LYS 139 CO 0.73 0.00 -0.51 0.66 -2.00 0.00 0.00 179.45 178.33 1rac n TYR 140 N -2.62 0.52 0.26 0.07 4.01 -1.26 -4.53 117.16 113.61 1rac n TYR 140 Ca 0.02 0.23 0.12 0.00 -0.16 0.00 0.00 57.90 58.11 1rac n TYR 140 Cb 0.33 -0.58 0.15 0.00 -0.31 0.00 0.00 39.34 38.92 1rac n TYR 140 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rac n GLU 142 N -2.81 -1.08 -3.63 0.00 1.02 -0.56 -4.99 120.64 108.59 1rac n GLU 142 Ca 0.03 0.75 -0.36 0.00 -0.02 0.00 0.00 57.16 57.57 1rac n GLU 142 Cb 0.52 -4.99 -0.06 0.00 -0.02 0.00 0.00 31.44 26.90 1rac n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1rac s LYS 143 N -4.33 3.72 -0.18 3.49 -0.14 -1.26 -4.80 119.74 116.24 1rac s LYS 143 Ca 0.00 0.14 -0.06 0.00 -1.36 0.00 0.00 55.97 54.69 1rac s LYS 143 Cb 0.00 -3.08 -0.03 0.00 -1.68 0.00 0.00 37.83 33.04 1rac s LYS 143 CO 0.00 0.63 0.01 -2.00 -0.76 0.00 0.00 175.35 173.23 1rac s GLU 144 N -1.63 3.76 0.08 1.68 2.12 -1.26 -1.50 118.70 121.95 1rac s GLU 144 Ca 0.28 -0.46 0.01 0.00 0.36 0.00 0.00 54.97 55.17 1rac s GLU 144 Cb -0.14 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 1rac s GLU 144 CO 0.15 0.17 -0.06 -0.06 -0.54 0.00 0.00 175.26 174.92 1rac s PHE 145 N 0.60 0.79 0.45 5.30 0.40 -0.40 -4.92 117.98 120.21 1rac s PHE 145 Ca 0.00 -0.85 -0.24 0.00 -0.60 0.00 0.00 56.93 55.24 1rac s PHE 145 Cb -0.14 -0.47 -0.08 0.00 0.51 0.00 0.00 43.02 42.85 1rac s PHE 145 CO 0.02 -0.17 1.32 0.45 0.70 0.00 0.00 175.22 177.54 1rac s SER 146 N -2.72 5.98 0.56 1.36 0.15 -1.26 -1.11 113.70 116.65 1rac s SER 146 Ca 0.07 2.67 0.27 0.00 0.70 0.00 0.00 55.95 59.66 1rac s SER 146 Cb 0.02 -2.63 1.64 0.00 -1.71 0.00 0.00 66.02 63.33 1rac s SER 146 CO -0.04 -1.08 2.19 1.12 1.20 0.00 0.00 173.24 176.63 1rac h HIS 147 N 2.24 0.00 -0.01 3.44 2.07 -0.83 -1.04 115.15 121.03 1rac h HIS 147 Ca -0.50 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 56.86 1rac h HIS 147 Cb 1.26 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.22 1rac h HIS 147 CO 0.51 0.04 -0.73 -0.91 -3.07 0.00 0.00 177.93 173.77 1rac h ASN 148 N 0.00 0.08 -0.52 3.10 -0.26 -1.89 0.14 115.58 116.23 1rac h ASN 148 Ca -0.00 -0.06 -0.04 0.00 -0.56 0.00 0.00 56.30 55.64 1rac h ASN 148 Cb 0.10 -0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 37.31 1rac h ASN 148 CO 0.01 0.78 0.18 0.58 -1.06 0.00 0.00 177.43 177.91 1rac h VAL 149 N 0.04 1.22 0.18 2.81 2.07 -1.55 -3.08 116.25 117.94 1rac h VAL 149 Ca -0.01 -0.76 -0.31 0.00 0.82 0.00 0.00 66.70 66.44 1rac h VAL 149 Cb 1.28 0.59 0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1rac h VAL 149 CO 0.10 0.29 -1.35 0.58 0.02 0.00 0.00 177.57 177.21 1rac h VAL 150 N 0.83 1.31 0.00 2.57 2.07 -1.06 -2.99 116.25 118.98 1rac h VAL 150 Ca 0.19 -2.63 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1rac h VAL 150 Cb 0.24 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1rac h VAL 150 CO -0.01 0.79 0.00 0.18 0.02 0.00 0.00 177.57 178.55 1rac n LEU 151 N -3.73 0.00 -0.02 2.57 4.77 0.40 -2.12 117.00 118.87 1rac n LEU 151 Ca -0.15 0.15 -0.02 0.00 -0.03 0.00 0.00 56.01 55.97 1rac n LEU 151 Cb 1.04 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.97 1rac n LEU 151 CO 0.59 -0.08 -0.14 0.00 -1.33 0.00 0.00 177.39 176.43 1rac n ALA 152 N -1.15 0.18 0.00 -1.18 0.00 -1.20 -5.05 120.51 112.10 1rac n ALA 152 Ca 0.09 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1rac n ALA 152 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1rac n ALA 152 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79