#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h2t s LEU 6 N 0.00 1.96 0.29 2.23 1.43 -1.26 -5.04 118.68 118.29 1h2t s LEU 6 Ca 0.00 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 1h2t s LEU 6 Cb 0.00 -1.15 0.67 0.00 0.03 0.00 0.00 46.19 45.74 1h2t s LEU 6 CO 0.00 0.17 1.74 0.50 0.23 0.00 0.00 176.35 178.99 1h2t h LYS 7 N 6.37 0.57 -0.83 1.70 3.64 -2.05 -1.19 116.57 124.78 1h2t h LYS 7 Ca -0.30 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 1h2t h LYS 7 Cb 1.19 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 1h2t h LYS 7 CO 0.47 0.38 0.43 0.00 -2.27 0.00 0.00 179.45 178.46 1h2t h ALA 8 N 1.64 1.19 0.00 5.00 0.00 -1.99 -2.40 119.26 122.69 1h2t h ALA 8 Ca 0.53 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1h2t h ALA 8 Cb 0.88 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1h2t h ALA 8 CO -0.43 0.63 0.00 -0.07 0.00 0.00 0.00 179.25 179.39 1h2t h LEU 9 N 1.17 0.00 0.00 0.00 3.38 -1.66 -3.08 115.31 115.12 1h2t h LEU 9 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1h2t h LEU 9 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1h2t h LEU 9 CO -0.04 0.00 -0.21 0.54 0.09 0.00 0.00 178.44 178.82 1h2t n ARG 10 N -2.97 0.25 -1.61 1.13 1.74 -0.85 -4.91 116.66 109.44 1h2t n ARG 10 Ca 0.03 0.16 -0.53 0.00 -0.77 0.00 0.00 57.85 56.74 1h2t n ARG 10 Cb 0.44 -1.74 -0.06 0.00 -1.02 0.00 0.00 32.46 30.08 1h2t n ARG 10 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1h2t n SER 11 N -2.15 1.81 -2.93 0.55 2.88 -1.11 -4.90 113.62 107.77 1h2t n SER 11 Ca 0.05 1.11 -0.13 0.00 -1.33 0.00 0.00 58.87 58.57 1h2t n SER 11 Cb 0.42 -1.19 0.03 0.00 -0.75 0.00 0.00 64.21 62.72 1h2t n SER 11 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1h2t n ASP 12 N 2.99 -0.24 -0.02 -3.46 2.03 -1.26 -5.00 116.55 111.59 1h2t n ASP 12 Ca 0.20 -3.11 0.17 0.00 0.52 0.00 0.00 54.79 52.57 1h2t n ASP 12 Cb 0.19 0.28 0.63 0.00 -0.72 0.00 0.00 41.12 41.49 1h2t n ASP 12 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1h2t h SER 13 N 2.90 0.12 0.95 1.67 4.64 -1.99 -1.92 113.55 119.93 1h2t h SER 13 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1h2t h SER 13 Cb 1.07 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1h2t h SER 13 CO 0.34 0.07 0.00 1.88 -0.87 0.00 0.00 176.83 178.25 1h2t h TYR 14 N 0.13 0.00 -0.01 4.77 -1.99 -1.94 -2.80 116.97 115.13 1h2t h TYR 14 Ca 0.25 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.98 1h2t h TYR 14 Cb 0.82 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.55 1h2t h TYR 14 CO -0.00 0.00 -0.66 0.28 -0.00 0.00 0.00 178.16 177.78 1h2t n VAL 15 N -2.78 0.00 -1.43 -2.88 0.31 -0.72 -4.51 118.33 106.31 1h2t n VAL 15 Ca 0.01 -0.09 -0.33 0.00 -0.01 0.00 0.00 64.34 63.92 1h2t n VAL 15 Cb 0.29 0.86 0.09 0.00 -0.91 0.00 0.00 33.84 34.16 1h2t n VAL 15 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1h2t s GLU 16 N -2.78 2.20 0.59 5.55 2.02 -1.06 -4.98 118.70 120.24 1h2t s GLU 16 Ca 0.14 1.61 -0.18 0.00 0.02 0.00 0.00 54.97 56.56 1h2t s GLU 16 Cb 0.17 -1.86 -0.04 0.00 0.10 0.00 0.00 34.13 32.51 1h2t s GLU 16 CO 0.71 -1.75 1.12 -0.51 0.02 0.00 0.00 175.26 174.84 1h2t s LEU 17 N -5.27 3.61 0.00 1.80 1.43 -1.26 -4.90 118.68 114.09 1h2t s LEU 17 Ca 0.71 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.90 1h2t s LEU 17 Cb -0.25 -4.57 0.03 0.00 0.03 0.00 0.00 46.19 41.43 1h2t s LEU 17 CO 0.46 -1.36 0.21 -1.54 0.23 0.00 0.00 176.35 174.36 1h2t n SER 18 N -1.73 0.33 -0.13 2.29 3.41 -1.26 -5.00 113.62 111.53 1h2t n SER 18 Ca 0.11 -1.26 0.13 0.00 -0.26 0.00 0.00 58.87 57.58 1h2t n SER 18 Cb 0.51 -0.13 0.32 0.00 -0.26 0.00 0.00 64.21 64.65 1h2t n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h2t n GLN 19 N -1.38 0.45 -2.26 4.33 1.13 -1.26 -4.92 117.38 113.47 1h2t n GLN 19 Ca 0.04 -0.26 -0.39 0.00 -1.94 0.00 0.00 57.00 54.45 1h2t n GLN 19 Cb 0.13 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 28.97 1h2t n GLN 19 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1h2t s TYR 20 N -2.73 3.05 -0.21 1.08 5.04 -1.26 -5.03 117.35 117.29 1h2t s TYR 20 Ca 0.18 1.53 -0.08 0.00 -2.44 0.00 0.00 57.07 56.27 1h2t s TYR 20 Cb 0.18 -3.44 0.09 0.00 0.35 0.00 0.00 41.96 39.15 1h2t s TYR 20 CO 0.60 -1.42 0.46 1.03 -1.34 0.00 0.00 175.55 174.89 1h2t s ARG 21 N -2.23 0.39 -0.18 4.97 0.52 -1.26 -5.11 118.95 116.05 1h2t s ARG 21 Ca 0.56 1.07 -0.34 0.00 -0.52 0.00 0.00 55.73 56.50 1h2t s ARG 21 Cb -0.32 0.35 -0.11 0.00 0.52 0.00 0.00 34.95 35.39 1h2t s ARG 21 CO 0.41 -0.23 2.00 -3.47 0.02 0.00 0.00 175.30 174.03 1h2t n ASP 22 N 5.18 3.07 0.20 0.23 -0.08 -1.26 -4.83 116.55 119.07 1h2t n ASP 22 Ca -0.12 0.73 0.09 0.00 -1.51 0.00 0.00 54.79 53.99 1h2t n ASP 22 Cb 0.51 -1.36 0.24 0.00 2.34 0.00 0.00 41.12 42.85 1h2t n ASP 22 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1h2t h GLN 23 N 10.75 0.00 -0.01 -0.67 5.75 -2.00 -2.85 115.11 126.08 1h2t h GLN 23 Ca -0.42 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.08 1h2t h GLN 23 Cb 1.28 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.83 1h2t h GLN 23 CO 0.97 0.22 -0.16 0.72 -2.65 0.00 0.00 178.83 177.92 1h2t n HIS 24 N -3.21 0.00 -1.63 3.99 8.25 -1.26 -4.87 115.22 116.49 1h2t n HIS 24 Ca 0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.05 1h2t n HIS 24 Cb 0.55 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.51 1h2t n HIS 24 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1h2t s PHE 25 N -2.40 1.20 -1.15 4.41 5.36 -1.08 -4.84 117.98 119.48 1h2t s PHE 25 Ca 0.28 0.13 -0.22 0.00 -0.96 0.00 0.00 56.93 56.16 1h2t s PHE 25 Cb 0.20 -4.06 -0.09 0.00 -0.34 0.00 0.00 43.02 38.73 1h2t s PHE 25 CO 0.47 -4.71 1.92 -2.13 -1.46 0.00 0.00 175.22 169.32 1h2t n ARG 26 N 8.27 1.70 0.00 10.12 3.00 -1.26 -4.76 116.66 133.73 1h2t n ARG 26 Ca 0.26 -2.45 0.00 0.00 -0.00 0.00 0.00 57.85 55.66 1h2t n ARG 26 Cb 0.43 -3.62 0.00 0.00 0.00 0.00 0.00 32.46 29.28 1h2t n ARG 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1h2t n GLY 27 N 5.60 0.79 3.74 5.14 0.00 -1.26 -5.11 105.19 114.09 1h2t n GLY 27 Ca 0.46 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 1h2t n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h2t s ASP 28 N 0.00 3.69 0.03 1.61 2.15 -1.26 -4.88 116.67 118.00 1h2t s ASP 28 Ca 0.00 1.39 -0.21 0.00 0.43 0.00 0.00 52.55 54.16 1h2t s ASP 28 Cb 0.00 -2.08 -0.16 0.00 -0.30 0.00 0.00 42.92 40.38 1h2t s ASP 28 CO 0.00 -2.49 1.30 -1.13 -0.17 0.00 0.00 175.17 172.68 1h2t h ASN 29 N -1.45 0.34 -0.40 -0.34 -1.24 -1.99 -1.54 115.58 108.97 1h2t h ASN 29 Ca -0.49 -0.52 0.08 0.00 0.71 0.00 0.00 56.30 56.08 1h2t h ASN 29 Cb 1.28 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 40.22 1h2t h ASN 29 CO 0.56 0.79 0.27 -0.08 -1.29 0.00 0.00 177.43 177.69 1h2t h GLU 30 N -0.10 0.19 0.14 6.67 4.81 -1.99 -0.86 114.58 123.43 1h2t h GLU 30 Ca 0.01 -0.01 -0.30 0.00 -0.13 0.00 0.00 59.36 58.93 1h2t h GLU 30 Cb 0.72 -0.04 0.03 0.00 0.63 0.00 0.00 28.75 30.08 1h2t h GLU 30 CO 0.04 0.12 -1.27 1.49 -0.73 0.00 0.00 179.01 178.67 1h2t h GLU 31 N 0.19 0.54 -0.73 1.92 4.81 -1.91 -2.62 114.58 116.79 1h2t h GLU 31 Ca 0.18 -0.77 -0.05 0.00 -0.13 0.00 0.00 59.36 58.59 1h2t h GLU 31 Cb 0.48 0.26 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 1h2t h GLU 31 CO -0.03 1.35 0.25 0.37 -0.73 0.00 0.00 179.01 180.22 1h2t h GLN 32 N 0.22 1.12 -0.21 1.92 4.15 -0.26 -2.20 115.11 119.86 1h2t h GLN 32 Ca -0.18 -0.22 -0.13 0.00 0.77 0.00 0.00 58.65 58.89 1h2t h GLN 32 Cb 1.95 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 29.45 1h2t h GLN 32 CO 0.23 0.94 -0.41 0.93 -1.93 0.00 0.00 178.83 178.59 1h2t h GLU 33 N 1.08 0.48 -0.65 1.69 5.08 -1.27 -1.48 114.58 119.52 1h2t h GLU 33 Ca 0.24 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1h2t h GLU 33 Cb 0.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1h2t h GLU 33 CO -0.01 0.81 0.43 -0.22 -1.00 0.00 0.00 179.01 179.02 1h2t h LYS 34 N 0.40 0.79 0.15 2.33 3.64 -1.01 -0.60 116.57 122.26 1h2t h LYS 34 Ca 0.03 -0.05 -0.29 0.00 -1.27 0.00 0.00 60.65 59.08 1h2t h LYS 34 Cb 0.89 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1h2t h LYS 34 CO 0.08 0.52 -1.30 -0.07 -2.27 0.00 0.00 179.45 176.40 1h2t h LEU 35 N 0.81 0.50 -0.76 5.20 3.38 -1.16 -3.32 115.31 119.97 1h2t h LEU 35 Ca 0.25 -0.54 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 1h2t h LEU 35 Cb 0.01 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1h2t h LEU 35 CO -0.06 1.42 0.27 -0.07 0.09 0.00 0.00 178.44 180.09 1h2t h LEU 36 N 0.09 1.07 0.00 1.67 3.38 -0.64 -0.52 115.31 120.35 1h2t h LEU 36 Ca -0.16 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1h2t h LEU 36 Cb 2.01 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1h2t h LEU 36 CO 0.21 0.97 0.00 0.29 0.09 0.00 0.00 178.44 180.00 1h2t n LYS 37 N -4.29 0.32 0.00 1.13 5.02 -0.29 -2.64 118.16 117.41 1h2t n LYS 37 Ca 0.06 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1h2t n LYS 37 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1h2t n LYS 37 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1h2t n LYS 38 N -1.22 0.37 -1.65 1.97 4.01 -1.03 -5.09 118.16 115.52 1h2t n LYS 38 Ca 0.09 -0.53 -0.33 0.00 -0.51 0.00 0.00 58.31 57.03 1h2t n LYS 38 Cb 0.12 -0.70 0.06 0.00 -0.51 0.00 0.00 35.03 34.00 1h2t n LYS 38 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1h2t s SER 39 N -0.19 4.94 -0.02 4.39 0.15 -0.23 -4.94 113.70 117.80 1h2t s SER 39 Ca 0.00 1.99 0.03 0.00 0.70 0.00 0.00 55.95 58.67 1h2t s SER 39 Cb 0.00 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 61.81 1h2t s SER 39 CO 0.00 -1.74 0.93 0.00 1.20 0.00 0.00 173.24 173.62 1h2t s THR 41 N -1.06 3.11 0.07 0.00 2.01 -1.26 -0.20 115.64 118.31 1h2t s THR 41 Ca 0.05 -0.67 0.09 0.00 0.31 0.00 0.00 61.69 61.48 1h2t s THR 41 Cb 0.05 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.25 1h2t s THR 41 CO 0.00 0.55 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.47 1h2t s LEU 42 N -0.11 2.22 -0.06 4.42 1.43 0.33 -1.58 118.68 125.33 1h2t s LEU 42 Ca -0.01 -0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 52.33 1h2t s LEU 42 Cb -0.14 -1.19 -0.05 0.00 0.03 0.00 0.00 46.19 44.85 1h2t s LEU 42 CO 0.03 0.21 0.31 -0.47 0.23 0.00 0.00 176.35 176.66 1h2t s TYR 43 N -0.90 3.65 -0.14 0.29 5.04 0.90 -1.23 117.35 124.96 1h2t s TYR 43 Ca 0.11 0.79 0.02 0.00 -2.44 0.00 0.00 57.07 55.56 1h2t s TYR 43 Cb -0.10 -2.20 0.01 0.00 0.35 0.00 0.00 41.96 40.03 1h2t s TYR 43 CO 0.03 0.60 -0.19 0.08 -1.34 0.00 0.00 175.55 174.74 1h2t s VAL 44 N -0.80 1.82 0.41 3.14 1.01 -0.21 -1.08 120.40 124.71 1h2t s VAL 44 Ca 0.20 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.43 1h2t s VAL 44 Cb -0.15 -1.64 -0.06 0.00 0.00 0.00 0.00 36.38 34.53 1h2t s VAL 44 CO 0.09 0.50 0.13 -0.83 0.00 0.00 0.00 175.10 174.99 1h2t s GLY 45 N 1.01 2.40 -1.19 4.51 0.00 0.15 -2.20 107.32 112.01 1h2t s GLY 45 Ca -0.04 -2.14 0.00 0.00 0.00 0.00 0.00 44.72 42.54 1h2t s GLY 45 CO -0.04 -1.97 0.00 -2.01 0.00 0.00 0.00 173.10 169.07 1h2t n ASN 46 N -1.16 -4.23 -4.81 1.64 5.15 -1.21 -2.16 115.26 108.48 1h2t n ASN 46 Ca -0.02 0.05 -0.33 0.00 -0.60 0.00 0.00 54.58 53.67 1h2t n ASN 46 Cb 0.65 -3.32 -0.05 0.00 -0.53 0.00 0.00 39.78 36.53 1h2t n ASN 46 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1h2t s LEU 47 N -3.68 3.88 0.55 1.20 1.43 -0.97 -4.75 118.68 116.34 1h2t s LEU 47 Ca 0.00 1.77 -0.18 0.00 -1.03 0.00 0.00 54.13 54.69 1h2t s LEU 47 Cb 0.00 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.62 1h2t s LEU 47 CO 0.00 -0.54 1.08 -0.55 0.23 0.00 0.00 176.35 176.57 1h2t s SER 48 N -2.16 5.86 0.56 2.29 0.15 -1.26 -4.38 113.70 114.76 1h2t s SER 48 Ca 0.64 1.99 0.35 0.00 0.70 0.00 0.00 55.95 59.63 1h2t s SER 48 Cb -0.12 -2.56 1.50 0.00 -1.71 0.00 0.00 66.02 63.13 1h2t s SER 48 CO 0.17 -1.12 2.04 -0.26 1.20 0.00 0.00 173.24 175.27 1h2t h PHE 49 N 0.99 0.00 -0.65 3.44 0.05 -1.40 -2.39 116.94 116.98 1h2t h PHE 49 Ca -0.49 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.30 1h2t h PHE 49 Cb 1.24 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.19 1h2t h PHE 49 CO 0.55 0.02 0.00 2.48 -0.18 0.00 0.00 178.31 181.18 1h2t n TYR 50 N -3.13 1.27 -2.47 -0.55 0.18 -1.26 -4.71 117.16 106.50 1h2t n TYR 50 Ca -0.00 -0.58 -0.42 0.00 1.88 0.00 0.00 57.90 58.78 1h2t n TYR 50 Cb 0.28 -0.16 -0.03 0.00 -0.38 0.00 0.00 39.34 39.04 1h2t n TYR 50 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 1h2t s THR 51 N -1.59 4.22 0.24 -3.48 2.01 -0.90 -5.02 115.64 111.12 1h2t s THR 51 Ca 0.49 1.57 0.05 0.00 0.31 0.00 0.00 61.69 64.11 1h2t s THR 51 Cb 0.30 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1h2t s THR 51 CO 0.26 0.07 0.36 0.42 -0.69 0.00 0.00 174.62 175.04 1h2t s THR 52 N 1.57 5.19 0.41 -0.82 -4.23 -1.26 -4.97 115.64 111.53 1h2t s THR 52 Ca 0.57 -1.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.18 1h2t s THR 52 Cb -0.26 -3.83 0.30 0.00 1.34 0.00 0.00 72.50 70.04 1h2t s THR 52 CO 0.26 -0.32 2.01 -0.08 -0.54 0.00 0.00 174.62 175.94 1h2t h GLU 53 N 1.17 0.51 -0.62 3.99 4.81 -1.99 -1.64 114.58 120.81 1h2t h GLU 53 Ca -0.52 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.61 1h2t h GLU 53 Cb 1.23 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 1h2t h GLU 53 CO 0.61 0.34 0.12 0.93 -0.73 0.00 0.00 179.01 180.27 1h2t h GLU 54 N 0.52 1.02 -0.38 1.92 3.07 -1.99 -0.57 114.58 118.16 1h2t h GLU 54 Ca 0.24 -0.26 -0.13 0.00 -0.50 0.00 0.00 59.36 58.71 1h2t h GLU 54 Cb 0.27 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1h2t h GLU 54 CO -0.07 0.94 -0.28 1.96 -1.40 0.00 0.00 179.01 180.16 1h2t h GLN 55 N 0.93 0.81 -0.23 2.33 4.20 -1.73 -1.92 115.11 119.50 1h2t h GLN 55 Ca 0.19 -0.36 -0.10 0.00 0.06 0.00 0.00 58.65 58.45 1h2t h GLN 55 Cb 0.40 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1h2t h GLN 55 CO 0.01 0.99 -0.27 0.82 -0.67 0.00 0.00 178.83 179.71 1h2t h ILE 56 N 0.69 1.27 -0.26 2.54 2.04 -1.08 -1.94 117.51 120.77 1h2t h ILE 56 Ca 0.08 -1.28 -0.03 0.00 1.00 0.00 0.00 64.86 64.63 1h2t h ILE 56 Cb 0.82 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 1h2t h ILE 56 CO 0.07 0.40 0.04 1.88 0.00 0.00 0.00 178.15 180.54 1h2t h TYR 57 N 0.39 0.46 -0.75 1.37 0.05 -0.84 -1.14 116.97 116.51 1h2t h TYR 57 Ca 0.06 -0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 1h2t h TYR 57 Cb 0.68 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.26 1h2t h TYR 57 CO 0.02 0.54 0.35 1.49 -1.05 0.00 0.00 178.16 179.51 1h2t h GLU 58 N 0.24 1.08 0.20 4.88 4.57 -1.12 -1.97 114.58 122.46 1h2t h GLU 58 Ca 0.08 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1h2t h GLU 58 Cb 0.33 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1h2t h GLU 58 CO 0.00 0.85 -0.10 1.25 -1.18 0.00 0.00 179.01 179.84 1h2t h LEU 59 N 1.05 -0.23 -0.45 1.64 5.85 -1.30 -3.33 115.31 118.54 1h2t h LEU 59 Ca 0.26 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1h2t h LEU 59 Cb 0.14 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1h2t h LEU 59 CO -0.03 0.30 0.00 0.49 -0.34 0.00 0.00 178.44 178.86 1h2t n PHE 60 N -4.95 0.46 0.58 1.25 3.01 -0.44 -2.31 117.46 115.06 1h2t n PHE 60 Ca -0.07 0.19 0.12 0.00 1.01 0.00 0.00 57.45 58.70 1h2t n PHE 60 Cb 0.24 -0.80 0.45 0.00 -0.01 0.00 0.00 39.48 39.36 1h2t n PHE 60 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1h2t n SER 61 N -1.93 0.62 0.09 4.37 7.64 -0.74 -3.11 113.62 120.56 1h2t n SER 61 Ca 0.02 0.59 0.08 0.00 1.01 0.00 0.00 58.87 60.58 1h2t n SER 61 Cb 0.18 -0.75 0.39 0.00 -1.01 0.00 0.00 64.21 63.03 1h2t n SER 61 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1h2t n LYS 62 N -2.12 0.10 0.00 1.43 5.02 -0.98 -1.62 118.16 120.00 1h2t n LYS 62 Ca 0.04 0.48 0.06 0.00 -2.02 0.00 0.00 58.31 56.87 1h2t n LYS 62 Cb 0.33 -1.76 0.02 0.00 -0.02 0.00 0.00 35.03 33.60 1h2t n LYS 62 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1h2t n SER 63 N -1.96 1.54 0.00 4.39 3.41 -1.18 -5.06 113.62 114.75 1h2t n SER 63 Ca 0.01 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.35 1h2t n SER 63 Cb 0.11 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1h2t n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h2t n GLY 64 N 0.85 0.28 3.71 5.00 0.00 -0.64 -4.51 105.19 109.87 1h2t n GLY 64 Ca 0.05 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1h2t n GLY 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h2t s ASP 65 N 0.00 7.22 -0.13 1.61 1.11 -1.26 -4.28 116.67 120.94 1h2t s ASP 65 Ca 0.00 1.78 -0.20 0.00 0.18 0.00 0.00 52.55 54.31 1h2t s ASP 65 Cb 0.00 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.38 1h2t s ASP 65 CO 0.00 -0.39 0.56 -0.63 1.18 0.00 0.00 175.17 175.89 1h2t s ILE 66 N 1.29 5.11 -0.12 0.77 1.01 -1.26 -3.11 121.20 124.89 1h2t s ILE 66 Ca 0.54 1.11 -0.23 0.00 0.00 0.00 0.00 60.65 62.07 1h2t s ILE 66 Cb -0.24 -3.90 -0.26 0.00 0.01 0.00 0.00 42.46 38.07 1h2t s ILE 66 CO 0.26 0.25 0.66 0.50 0.00 0.00 0.00 174.94 176.61 1h2t h LYS 67 N 6.96 0.12 -2.09 2.79 3.64 -0.52 -3.48 116.57 124.00 1h2t h LYS 67 Ca -0.38 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 58.73 1h2t h LYS 67 Cb 1.17 0.08 -0.20 0.00 -0.41 0.00 0.00 32.23 32.87 1h2t h LYS 67 CO 0.76 1.10 0.12 0.21 -2.27 0.00 0.00 179.45 179.36 1h2t s LYS 68 N -2.35 0.91 -0.15 1.90 2.20 -1.08 -5.01 119.74 116.16 1h2t s LYS 68 Ca -0.20 0.58 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 1h2t s LYS 68 Cb 0.01 0.44 0.03 0.00 -1.51 0.00 0.00 37.83 36.79 1h2t s LYS 68 CO 0.72 -0.21 -0.13 0.42 -0.36 0.00 0.00 175.35 175.80 1h2t s ILE 69 N -0.43 1.51 -0.36 5.43 1.01 -1.26 -0.24 121.20 126.86 1h2t s ILE 69 Ca -0.06 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 1h2t s ILE 69 Cb -0.03 -1.46 0.07 0.00 0.01 0.00 0.00 42.46 41.05 1h2t s ILE 69 CO 0.05 0.40 0.13 -0.63 0.00 0.00 0.00 174.94 174.90 1h2t s ILE 70 N 1.50 3.57 0.32 2.92 1.01 -0.32 -4.95 121.20 125.24 1h2t s ILE 70 Ca 0.04 -1.46 -0.29 0.00 0.00 0.00 0.00 60.65 58.94 1h2t s ILE 70 Cb -0.13 -3.16 -0.10 0.00 0.01 0.00 0.00 42.46 39.08 1h2t s ILE 70 CO -0.10 -0.35 1.32 -0.04 0.00 0.00 0.00 174.94 175.78 1h2t s MET 71 N 1.31 4.34 0.05 2.79 -1.94 -1.26 -1.34 119.30 123.25 1h2t s MET 71 Ca 0.01 2.23 -0.30 0.00 -1.71 0.00 0.00 55.69 55.91 1h2t s MET 71 Cb -0.21 -3.08 -0.05 0.00 2.01 0.00 0.00 34.83 33.51 1h2t s MET 71 CO 0.00 -0.22 1.06 0.20 -0.01 0.00 0.00 175.02 176.05 1h2t s GLY 72 N -0.37 2.76 0.15 -0.03 0.00 0.22 -4.88 107.32 105.16 1h2t s GLY 72 Ca 0.50 0.66 0.09 0.00 0.00 0.00 0.00 44.72 45.97 1h2t s GLY 72 CO 0.52 1.77 -0.20 1.08 0.00 0.00 0.00 173.10 176.27 1h2t s LEU 73 N 0.80 2.39 -0.10 0.66 1.43 0.34 -1.65 118.68 122.54 1h2t s LEU 73 Ca 0.53 -0.80 -0.29 0.00 -1.03 0.00 0.00 54.13 52.54 1h2t s LEU 73 Cb -0.25 -0.89 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 1h2t s LEU 73 CO 0.29 0.02 1.52 -0.62 0.23 0.00 0.00 176.35 177.79 1h2t s ASP 74 N -2.39 6.74 0.19 2.29 3.68 0.17 -0.47 116.67 126.89 1h2t s ASP 74 Ca 0.13 2.02 0.08 0.00 2.13 0.00 0.00 52.55 56.91 1h2t s ASP 74 Cb -0.07 -2.53 0.42 0.00 -1.45 0.00 0.00 42.92 39.28 1h2t s ASP 74 CO 0.06 -0.89 1.09 1.17 0.13 0.00 0.00 175.17 176.73 1h2t n LYS 75 N 6.99 0.05 0.02 4.34 4.81 -0.96 0.11 118.16 133.52 1h2t n LYS 75 Ca 0.16 0.46 -0.02 0.00 -0.87 0.00 0.00 58.31 58.04 1h2t n LYS 75 Cb 0.44 -1.94 -0.01 0.00 0.02 0.00 0.00 35.03 33.54 1h2t n LYS 75 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1h2t n MET 76 N -1.74 0.10 0.23 1.64 2.81 -1.26 -4.70 117.12 114.18 1h2t n MET 76 Ca -0.01 0.04 0.15 0.00 -1.81 0.00 0.00 57.70 56.08 1h2t n MET 76 Cb 0.28 -0.65 0.61 0.00 -0.71 0.00 0.00 33.22 32.76 1h2t n MET 76 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1h2t h LYS 77 N -0.18 0.00 -6.11 0.03 1.57 -1.91 -3.46 116.57 106.51 1h2t h LYS 77 Ca 0.00 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.35 1h2t h LYS 77 Cb 0.18 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.53 1h2t h LYS 77 CO 0.00 0.00 -0.81 1.63 -0.57 0.00 0.00 179.45 179.70 1h2t n LYS 78 N -2.79 -5.13 -4.34 3.15 5.02 0.30 -4.92 118.16 109.45 1h2t n LYS 78 Ca 0.01 0.63 -0.18 0.00 -2.02 0.00 0.00 58.31 56.74 1h2t n LYS 78 Cb 0.28 -5.26 -0.10 0.00 -0.02 0.00 0.00 35.03 29.93 1h2t n LYS 78 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1h2t s THR 79 N -3.59 1.72 -0.19 -0.18 -4.23 -1.25 -4.73 115.64 103.19 1h2t s THR 79 Ca 0.13 -2.20 -0.35 0.00 -1.18 0.00 0.00 61.69 58.08 1h2t s THR 79 Cb -0.06 -2.03 -0.12 0.00 1.34 0.00 0.00 72.50 71.63 1h2t s THR 79 CO 0.81 -0.59 1.93 0.00 -0.54 0.00 0.00 174.62 176.23 1h2t n ALA 80 N -0.35 0.72 -0.28 3.99 0.00 -1.26 0.42 120.51 123.74 1h2t n ALA 80 Ca -0.08 0.22 0.09 0.00 0.00 0.00 0.00 53.44 53.66 1h2t n ALA 80 Cb 0.60 -2.47 0.24 0.00 0.00 0.00 0.00 19.45 17.83 1h2t n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h2t n GLY 82 N 1.10 1.64 3.74 0.00 0.00 -1.26 -4.46 105.19 105.95 1h2t n GLY 82 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 1h2t n GLY 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1h2t s PHE 83 N -2.00 -0.19 0.28 1.61 -0.12 -1.26 -2.28 117.98 114.01 1h2t s PHE 83 Ca 0.00 -0.13 -0.20 0.00 -0.05 0.00 0.00 56.93 56.55 1h2t s PHE 83 Cb 0.00 0.64 0.05 0.00 -0.63 0.00 0.00 43.02 43.08 1h2t s PHE 83 CO 0.00 -0.90 0.85 0.00 -0.05 0.00 0.00 175.22 175.13 1h2t s PHE 85 N -2.88 2.16 -0.12 0.00 0.40 -0.45 -1.04 117.98 116.05 1h2t s PHE 85 Ca 0.15 -0.41 -0.00 0.00 -0.60 0.00 0.00 56.93 56.07 1h2t s PHE 85 Cb -0.04 -1.36 0.03 0.00 0.51 0.00 0.00 43.02 42.15 1h2t s PHE 85 CO 0.07 0.00 -0.07 0.08 0.70 0.00 0.00 175.22 176.00 1h2t s VAL 86 N -0.63 1.03 -0.16 -0.44 1.01 -0.37 -1.18 120.40 119.67 1h2t s VAL 86 Ca 0.10 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 1h2t s VAL 86 Cb -0.09 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1h2t s VAL 86 CO -0.00 0.35 -0.04 -0.70 0.00 0.00 0.00 175.10 174.71 1h2t s GLU 87 N 1.70 3.64 0.35 2.72 2.12 0.66 -0.52 118.70 129.39 1h2t s GLU 87 Ca 0.05 -0.53 0.07 0.00 0.36 0.00 0.00 54.97 54.92 1h2t s GLU 87 Cb -0.13 -2.91 -0.01 0.00 0.26 0.00 0.00 34.13 31.34 1h2t s GLU 87 CO -0.08 0.21 0.43 0.71 -0.54 0.00 0.00 175.26 175.99 1h2t s TYR 88 N 0.44 2.97 0.04 5.30 2.02 0.73 0.20 117.35 129.06 1h2t s TYR 88 Ca -0.04 -0.29 -0.06 0.00 -0.37 0.00 0.00 57.07 56.31 1h2t s TYR 88 Cb -0.14 -2.01 -0.29 0.00 -0.40 0.00 0.00 41.96 39.11 1h2t s TYR 88 CO 0.03 -0.03 1.02 1.88 -1.57 0.00 0.00 175.55 176.88 1h2t h TYR 89 N 0.96 0.56 -3.94 2.71 0.05 -1.84 -3.43 116.97 112.03 1h2t h TYR 89 Ca -0.44 -0.41 -0.61 0.00 0.05 0.00 0.00 58.73 57.32 1h2t h TYR 89 Cb 1.26 -0.02 -0.22 0.00 1.01 0.00 0.00 36.73 38.76 1h2t h TYR 89 CO 0.46 1.36 -0.85 -1.54 -1.05 0.00 0.00 178.16 176.55 1h2t s SER 90 N -7.16 2.84 0.28 3.88 1.04 -1.26 -5.04 113.70 108.28 1h2t s SER 90 Ca -0.06 -0.70 -0.03 0.00 0.48 0.00 0.00 55.95 55.63 1h2t s SER 90 Cb 0.06 -0.18 0.39 0.00 0.10 0.00 0.00 66.02 66.39 1h2t s SER 90 CO 0.88 0.11 1.95 -0.09 0.98 0.00 0.00 173.24 177.08 1h2t h ARG 91 N 4.06 1.17 -0.68 4.02 9.65 -1.90 -2.61 114.38 128.09 1h2t h ARG 91 Ca -0.48 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.33 1h2t h ARG 91 Cb 1.17 -0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 29.46 1h2t h ARG 91 CO 0.40 0.77 0.41 0.00 2.80 0.00 0.00 179.97 184.35 1h2t h ALA 92 N 1.45 1.44 -0.26 2.80 0.00 -1.96 -1.13 119.26 121.60 1h2t h ALA 92 Ca 0.33 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 1h2t h ALA 92 Cb -0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1h2t h ALA 92 CO -0.07 0.49 -0.48 -0.44 0.00 0.00 0.00 179.25 178.74 1h2t h ASP 93 N 0.94 0.76 -0.62 0.00 3.32 -1.70 -2.25 116.42 116.87 1h2t h ASP 93 Ca 0.25 -0.38 -0.09 0.00 0.02 0.00 0.00 57.03 56.83 1h2t h ASP 93 Cb -0.04 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1h2t h ASP 93 CO -0.05 1.12 0.05 0.00 -1.72 0.00 0.00 179.24 178.64 1h2t h ALA 94 N 0.91 0.83 -0.76 3.45 0.00 -1.32 -2.69 119.26 119.68 1h2t h ALA 94 Ca 0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1h2t h ALA 94 Cb 1.03 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1h2t h ALA 94 CO 0.10 0.63 0.46 0.93 0.00 0.00 0.00 179.25 181.37 1h2t h GLU 95 N 0.97 1.02 0.00 0.00 5.08 -1.02 -1.48 114.58 119.15 1h2t h GLU 95 Ca 0.18 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1h2t h GLU 95 Cb 0.50 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1h2t h GLU 95 CO 0.02 0.72 -0.10 -0.91 -1.00 0.00 0.00 179.01 177.74 1h2t h ASN 96 N 1.03 0.00 0.13 1.42 2.35 -1.19 0.15 115.58 119.47 1h2t h ASN 96 Ca 0.27 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.82 1h2t h ASN 96 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1h2t h ASN 96 CO -0.05 0.10 -0.79 0.00 -1.65 0.00 0.00 177.43 175.04 1h2t h ALA 97 N 1.90 0.45 -0.49 -0.83 0.00 -1.01 -1.45 119.26 117.82 1h2t h ALA 97 Ca -0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 1h2t h ALA 97 Cb 0.50 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1h2t h ALA 97 CO 0.01 0.74 -0.07 0.52 0.00 0.00 0.00 179.25 180.46 1h2t h MET 98 N 0.36 0.88 0.01 0.00 2.86 -0.22 -0.17 114.93 118.65 1h2t h MET 98 Ca -0.05 -0.28 -0.25 0.00 -2.06 0.00 0.00 59.70 57.06 1h2t h MET 98 Cb 1.40 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.99 1h2t h MET 98 CO 0.15 0.92 -1.01 0.00 1.06 0.00 0.00 176.91 178.02 1h2t h ARG 99 N 0.80 0.52 0.00 1.72 3.08 -0.99 -3.38 114.38 116.13 1h2t h ARG 99 Ca 0.14 -0.58 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1h2t h ARG 99 Cb 0.57 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1h2t h ARG 99 CO 0.03 1.21 -0.21 0.66 -1.07 0.00 0.00 179.97 180.59 1h2t n TYR 100 N -3.78 0.00 -0.11 3.04 4.01 -0.55 -4.78 117.16 114.99 1h2t n TYR 100 Ca -0.09 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.51 1h2t n TYR 100 Cb 0.87 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.78 1h2t n TYR 100 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1h2t n ILE 101 N -1.02 1.33 -1.67 -0.72 5.41 -0.18 -4.84 119.36 117.67 1h2t n ILE 101 Ca 0.00 -0.58 -0.44 0.00 1.00 0.00 0.00 62.75 62.73 1h2t n ILE 101 Cb 0.00 -1.13 -0.01 0.00 -0.71 0.00 0.00 39.64 37.79 1h2t n ILE 101 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1h2t n ASN 102 N -3.06 2.55 -0.15 4.38 5.15 -0.57 -1.67 115.26 121.90 1h2t n ASN 102 Ca -0.39 1.18 -0.02 0.00 -0.60 0.00 0.00 54.58 54.75 1h2t n ASN 102 Cb 0.98 -1.44 -0.01 0.00 -0.53 0.00 0.00 39.78 38.79 1h2t n ASN 102 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1h2t n GLY 103 N 1.32 0.53 3.77 8.20 0.00 -0.28 -4.96 105.19 113.77 1h2t n GLY 103 Ca 0.08 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1h2t n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h2t s THR 104 N -1.92 1.22 0.19 2.61 -4.23 -0.67 -4.82 115.64 108.03 1h2t s THR 104 Ca 0.00 -1.96 -0.11 0.00 -1.18 0.00 0.00 61.69 58.44 1h2t s THR 104 Cb 0.00 -2.18 -0.07 0.00 1.34 0.00 0.00 72.50 71.59 1h2t s THR 104 CO 0.00 0.00 0.54 -0.13 -0.54 0.00 0.00 174.62 174.49 1h2t s ARG 105 N -3.91 3.86 -0.23 3.99 0.52 -1.26 -1.43 118.95 120.49 1h2t s ARG 105 Ca 0.09 0.34 -0.03 0.00 -0.52 0.00 0.00 55.73 55.60 1h2t s ARG 105 Cb 0.01 -2.76 0.11 0.00 0.52 0.00 0.00 34.95 32.84 1h2t s ARG 105 CO 0.05 0.38 0.28 -1.17 0.02 0.00 0.00 175.30 174.86 1h2t s LEU 106 N -2.49 -0.29 -0.86 2.53 0.20 -0.28 -4.82 118.68 112.68 1h2t s LEU 106 Ca 0.43 -0.18 -0.03 0.00 0.69 0.00 0.00 54.13 55.05 1h2t s LEU 106 Cb -0.13 0.62 0.00 0.00 -0.43 0.00 0.00 46.19 46.26 1h2t s LEU 106 CO 0.20 -0.33 0.44 0.47 -0.29 0.00 0.00 176.35 176.85 1h2t n ASP 107 N 5.33 -4.26 -1.13 3.68 10.43 -1.26 -2.65 116.55 126.69 1h2t n ASP 107 Ca -0.04 -0.20 -0.15 0.00 2.57 0.00 0.00 54.79 56.96 1h2t n ASP 107 Cb 0.49 -3.06 -0.06 0.00 1.84 0.00 0.00 41.12 40.33 1h2t n ASP 107 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1h2t n ASP 108 N -0.79 -5.03 -4.38 -2.24 2.03 -1.26 -4.99 116.55 99.88 1h2t n ASP 108 Ca -0.05 0.37 -0.32 0.00 0.52 0.00 0.00 54.79 55.31 1h2t n ASP 108 Cb 0.56 -3.83 -0.15 0.00 -0.72 0.00 0.00 41.12 36.99 1h2t n ASP 108 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1h2t s ARG 109 N -3.21 2.50 -0.26 -0.67 0.52 -1.08 -5.04 118.95 111.70 1h2t s ARG 109 Ca 0.00 -0.80 -0.29 0.00 -0.52 0.00 0.00 55.73 54.12 1h2t s ARG 109 Cb 0.00 -2.27 0.00 0.00 0.52 0.00 0.00 34.95 33.20 1h2t s ARG 109 CO 0.00 0.52 1.21 0.42 0.02 0.00 0.00 175.30 177.48 1h2t s ILE 110 N -0.48 4.31 0.26 1.52 -1.09 -1.26 -1.12 121.20 123.33 1h2t s ILE 110 Ca 0.06 1.53 0.04 0.00 -2.23 0.00 0.00 60.65 60.05 1h2t s ILE 110 Cb -0.12 -4.19 -0.03 0.00 -1.58 0.00 0.00 42.46 36.54 1h2t s ILE 110 CO 0.01 -0.36 0.40 0.27 -1.23 0.00 0.00 174.94 174.02 1h2t s ILE 111 N 3.88 5.23 -0.04 2.92 -4.36 -0.52 -4.83 121.20 123.48 1h2t s ILE 111 Ca 0.52 -0.85 0.05 0.00 -0.26 0.00 0.00 60.65 60.11 1h2t s ILE 111 Cb -0.17 -3.85 -0.01 0.00 1.25 0.00 0.00 42.46 39.68 1h2t s ILE 111 CO 0.18 -0.36 -0.21 -0.60 0.24 0.00 0.00 174.94 174.19 1h2t s ARG 112 N -4.00 2.05 0.13 0.37 3.52 -0.92 -1.13 118.95 118.98 1h2t s ARG 112 Ca 0.35 -0.74 0.08 0.00 -0.13 0.00 0.00 55.73 55.30 1h2t s ARG 112 Cb -0.09 -1.79 -0.04 0.00 -1.56 0.00 0.00 34.95 31.47 1h2t s ARG 112 CO 0.30 0.32 -0.11 0.95 -0.81 0.00 0.00 175.30 175.95 1h2t s THR 113 N -0.11 3.21 -0.04 4.11 -4.23 -1.26 0.33 115.64 117.65 1h2t s THR 113 Ca -0.02 -1.43 -0.14 0.00 -1.18 0.00 0.00 61.69 58.92 1h2t s THR 113 Cb -0.12 -2.52 0.03 0.00 1.34 0.00 0.00 72.50 71.22 1h2t s THR 113 CO 0.02 0.04 0.32 -0.62 -0.54 0.00 0.00 174.62 173.84 1h2t s ASP 114 N -2.39 -0.23 0.55 3.99 2.15 -0.24 -4.97 116.67 115.53 1h2t s ASP 114 Ca 0.22 0.24 -0.21 0.00 0.43 0.00 0.00 52.55 53.22 1h2t s ASP 114 Cb -0.10 0.41 -0.05 0.00 -0.30 0.00 0.00 42.92 42.88 1h2t s ASP 114 CO 0.13 -0.37 1.29 0.26 -0.17 0.00 0.00 175.17 176.31 1h2t s TRP 115 N -0.95 2.39 0.04 -5.34 0.52 -1.26 -0.07 118.94 114.27 1h2t s TRP 115 Ca -0.10 1.44 0.06 0.00 0.02 0.00 0.00 56.10 57.52 1h2t s TRP 115 Cb -0.05 -3.65 -0.02 0.00 -1.15 0.00 0.00 33.47 28.60 1h2t s TRP 115 CO 0.03 -2.51 -0.18 0.34 0.02 0.00 0.00 176.95 174.65 1h2t s ASP 116 N -1.20 2.13 0.55 2.95 -1.08 -0.61 -4.63 116.67 114.77 1h2t s ASP 116 Ca 0.72 -0.49 0.34 0.00 -0.52 0.00 0.00 52.55 52.60 1h2t s ASP 116 Cb -0.36 -0.16 1.44 0.00 -1.46 0.00 0.00 42.92 42.38 1h2t s ASP 116 CO 0.42 0.11 2.01 0.00 0.52 0.00 0.00 175.17 178.23 1h2t h ALA 117 N 4.90 1.02 0.00 3.66 0.00 -1.87 -3.42 119.26 123.54 1h2t h ALA 117 Ca -0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1h2t h ALA 117 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1h2t h ALA 117 CO 0.44 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1h2t n GLY 118 N -0.10 4.63 3.76 0.00 0.00 -1.26 -4.73 105.19 107.49 1h2t n GLY 118 Ca 0.00 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 1h2t n GLY 118 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1h2t s PHE 119 N -0.91 2.61 0.07 1.61 5.36 -1.26 -5.06 117.98 120.40 1h2t s PHE 119 Ca 0.00 1.52 -0.11 0.00 -0.96 0.00 0.00 56.93 57.38 1h2t s PHE 119 Cb 0.00 -3.41 0.01 0.00 -0.34 0.00 0.00 43.02 39.28 1h2t s PHE 119 CO 0.00 -1.86 0.24 0.15 -1.46 0.00 0.00 175.22 172.30 1h2t s LYS 120 N -3.11 0.83 0.24 10.12 -0.14 -1.26 -5.10 119.74 121.32 1h2t s LYS 120 Ca 0.72 -0.75 -0.31 0.00 -1.36 0.00 0.00 55.97 54.27 1h2t s LYS 120 Cb -0.28 0.35 -0.11 0.00 -1.68 0.00 0.00 37.83 36.10 1h2t s LYS 120 CO 0.32 -0.27 1.60 -1.21 -0.76 0.00 0.00 175.35 175.04 1h2t s GLU 121 N -3.25 4.16 0.00 1.68 0.41 -1.26 -2.18 118.70 118.26 1h2t s GLU 121 Ca 0.00 2.51 0.00 0.00 -0.41 0.00 0.00 54.97 57.07 1h2t s GLU 121 Cb 0.02 -3.07 0.00 0.00 -1.78 0.00 0.00 34.13 29.30 1h2t s GLU 121 CO -0.08 -0.63 0.00 0.41 -0.49 0.00 0.00 175.26 174.47 1h2t n GLY 122 N 2.91 3.07 0.00 -1.39 0.00 -1.26 -4.88 105.19 103.65 1h2t n GLY 122 Ca 0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.20 1h2t n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h2t n ARG 123 N -0.36 0.25 -0.06 1.61 1.74 -0.93 -2.10 116.66 116.81 1h2t n ARG 123 Ca 0.00 0.12 0.12 0.00 -0.77 0.00 0.00 57.85 57.32 1h2t n ARG 123 Cb 0.00 -1.50 0.36 0.00 -1.02 0.00 0.00 32.46 30.30 1h2t n ARG 123 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h2t n GLN 124 N -1.22 1.92 -4.08 5.56 0.00 -1.26 -4.92 117.38 113.37 1h2t n GLN 124 Ca 0.07 -1.36 -0.29 0.00 0.00 0.00 0.00 57.00 55.43 1h2t n GLN 124 Cb 0.10 -1.45 -0.06 0.00 0.00 0.00 0.00 30.24 28.82 1h2t n GLN 124 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1h2t s TYR 125 N -1.84 3.13 0.02 2.61 1.51 -0.89 0.13 117.35 122.01 1h2t s TYR 125 Ca 0.34 0.02 -0.30 0.00 -1.01 0.00 0.00 57.07 56.12 1h2t s TYR 125 Cb 0.20 -1.56 -0.06 0.00 -0.11 0.00 0.00 41.96 40.43 1h2t s TYR 125 CO 0.30 0.51 1.44 0.20 -1.11 0.00 0.00 175.55 176.89 1h2t s GLY 126 N -2.63 1.81 -0.00 0.71 0.00 0.38 -4.86 107.32 102.73 1h2t s GLY 126 Ca 0.29 0.95 0.03 0.00 0.00 0.00 0.00 44.72 45.99 1h2t s GLY 126 CO 0.22 2.57 1.06 0.54 0.00 0.00 0.00 173.10 177.48 1h2t n ARG 127 N 5.36 1.29 -2.59 2.90 1.74 -1.18 -4.24 116.66 119.93 1h2t n ARG 127 Ca 0.14 -0.42 -0.39 0.00 -0.77 0.00 0.00 57.85 56.41 1h2t n ARG 127 Cb 0.43 -1.13 -0.05 0.00 -1.02 0.00 0.00 32.46 30.70 1h2t n ARG 127 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1h2t s GLY 128 N -0.94 2.95 0.31 -0.13 0.00 0.19 -4.72 107.32 104.99 1h2t s GLY 128 Ca 0.08 0.74 0.08 0.00 0.00 0.00 0.00 44.72 45.61 1h2t s GLY 128 CO 0.05 1.27 1.72 -0.09 0.00 0.00 0.00 173.10 176.04 1h2t h ARG 129 N 3.44 0.50 0.00 2.90 2.43 -1.90 0.88 114.38 122.64 1h2t h ARG 129 Ca -0.47 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1h2t h ARG 129 Cb 1.21 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1h2t h ARG 129 CO 0.66 0.33 0.00 -1.13 -1.51 0.00 0.00 179.97 178.32 1h2t n SER 130 N -4.94 0.00 0.00 -3.80 3.41 -1.26 -4.92 113.62 102.11 1h2t n SER 130 Ca 0.25 -0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1h2t n SER 130 Cb 0.72 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1h2t n SER 130 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h2t n GLY 131 N 1.13 3.16 0.00 5.00 0.00 0.31 -4.88 105.19 109.91 1h2t n GLY 131 Ca 0.17 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1h2t n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2t n GLY 132 N 0.00 -1.47 3.78 -0.02 0.00 -1.26 -2.27 105.19 103.95 1h2t n GLY 132 Ca 0.00 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 44.16 1h2t n GLY 132 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1h2t s GLN 133 N 0.00 3.78 0.16 1.61 -0.21 -1.26 0.57 119.66 124.30 1h2t s GLN 133 Ca 0.00 1.57 -0.23 0.00 0.02 0.00 0.00 55.36 56.72 1h2t s GLN 133 Cb 0.00 -2.27 0.04 0.00 1.00 0.00 0.00 33.01 31.78 1h2t s GLN 133 CO 0.00 -0.49 1.61 0.28 -2.12 0.00 0.00 175.29 174.57 1h2t h VAL 134 N 1.72 0.30 -1.04 1.09 2.07 -1.92 -2.25 116.25 116.21 1h2t h VAL 134 Ca -0.49 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.33 1h2t h VAL 134 Cb 1.24 0.30 -0.13 0.00 -1.52 0.00 0.00 31.29 31.17 1h2t h VAL 134 CO 0.60 0.00 0.62 -0.09 0.02 0.00 0.00 177.57 178.72 1h2t h ARG 135 N -0.28 0.37 0.00 1.57 2.43 -1.99 0.36 114.38 116.84 1h2t h ARG 135 Ca 0.15 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1h2t h ARG 135 Cb 0.51 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1h2t h ARG 135 CO -0.45 0.24 0.00 -0.44 -1.51 0.00 0.00 179.97 177.81 1h2t h ASP 136 N 0.38 0.00 1.15 -3.80 5.19 -1.79 -2.14 116.42 115.41 1h2t h ASP 136 Ca 0.70 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 57.08 1h2t h ASP 136 Cb 1.63 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.13 1h2t h ASP 136 CO -0.50 0.00 -0.12 -0.08 -3.12 0.00 0.00 179.24 175.42 1h2t h GLU 137 N 0.00 0.00 0.00 3.56 4.57 -0.35 -3.33 114.58 119.03 1h2t h GLU 137 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1h2t h GLU 137 Cb 0.27 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1h2t h GLU 137 CO 0.00 0.12 -1.50 0.66 -1.18 0.00 0.00 179.01 177.11 1h2t n TYR 138 N -3.22 0.00 -1.73 0.92 4.02 -0.83 -4.94 117.16 111.38 1h2t n TYR 138 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.48 1h2t n TYR 138 Cb 0.41 -0.27 -0.02 0.00 -0.02 0.00 0.00 39.34 39.44 1h2t n TYR 138 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1h2t n ARG 139 N -1.94 2.58 -0.01 -0.72 1.85 -1.08 -4.92 116.66 112.42 1h2t n ARG 139 Ca -0.04 0.92 -0.19 0.00 -1.00 0.00 0.00 57.85 57.53 1h2t n ARG 139 Cb 0.36 -2.68 -0.14 0.00 -1.05 0.00 0.00 32.46 28.95 1h2t n ARG 139 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1h2t n GLN 140 N 2.12 0.73 -0.39 2.89 1.13 -1.26 -3.27 117.38 119.33 1h2t n GLN 140 Ca 0.09 0.25 -0.29 0.00 -1.94 0.00 0.00 57.00 55.11 1h2t n GLN 140 Cb 0.36 -1.69 0.27 0.00 0.11 0.00 0.00 30.24 29.29 1h2t n GLN 140 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1h2t n ASP 141 N -3.40 -2.72 -4.31 1.08 5.75 -1.26 -4.67 116.55 107.02 1h2t n ASP 141 Ca -0.32 -0.44 -0.40 0.00 -0.01 0.00 0.00 54.79 53.63 1h2t n ASP 141 Cb 1.04 -1.14 -0.11 0.00 -1.03 0.00 0.00 41.12 39.88 1h2t n ASP 141 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1h2t s TYR 142 N -2.28 3.28 -0.50 2.11 5.04 -1.26 -4.28 117.35 119.46 1h2t s TYR 142 Ca 0.67 -1.31 -0.12 0.00 -2.44 0.00 0.00 57.07 53.86 1h2t s TYR 142 Cb -0.20 -2.58 0.12 0.00 0.35 0.00 0.00 41.96 39.64 1h2t s TYR 142 CO 0.62 -0.75 0.41 0.34 -1.34 0.00 0.00 175.55 174.84 1h2t s ASP 143 N 1.71 5.93 0.48 4.32 -1.08 0.15 -4.94 116.67 123.25 1h2t s ASP 143 Ca 0.01 -1.80 0.24 0.00 -0.52 0.00 0.00 52.55 50.48 1h2t s ASP 143 Cb -0.21 -2.11 1.27 0.00 -1.46 0.00 0.00 42.92 40.42 1h2t s ASP 143 CO 0.04 -0.75 1.88 0.00 0.52 0.00 0.00 175.17 176.85 1h2t h ALA 144 N 8.65 2.49 -0.31 3.66 0.00 -1.93 0.27 119.26 132.10 1h2t h ALA 144 Ca -0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1h2t h ALA 144 Cb 1.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1h2t h ALA 144 CO 0.93 -0.76 0.00 0.41 0.00 0.00 0.00 179.25 179.84 1h2t n GLY 145 N -1.61 0.70 0.40 0.00 0.00 -1.26 -3.90 105.19 99.53 1h2t n GLY 145 Ca 0.18 -0.45 0.05 0.00 0.00 0.00 0.00 46.02 45.80 1h2t n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h2t n ARG 146 N 0.59 0.64 0.00 1.61 5.12 0.80 -1.07 116.66 124.36 1h2t n ARG 146 Ca 0.15 -1.89 0.00 0.00 -1.93 0.00 0.00 57.85 54.18 1h2t n ARG 146 Cb 0.35 -0.96 0.00 0.00 -1.16 0.00 0.00 32.46 30.70 1h2t n ARG 146 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1h2t n GLY 147 N -0.64 2.80 0.00 -0.13 0.00 -1.07 -4.80 105.19 101.34 1h2t n GLY 147 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1h2t n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2t n GLY 148 N -2.00 1.11 2.20 -0.02 0.00 -0.26 -4.96 105.19 101.26 1h2t n GLY 148 Ca 0.00 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 1h2t n GLY 148 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1h2t n TYR 149 N 0.00 -3.42 1.13 1.61 4.01 -1.26 0.33 117.16 119.56 1h2t n TYR 149 Ca 0.00 -0.89 0.13 0.00 -0.16 0.00 0.00 57.90 56.98 1h2t n TYR 149 Cb 0.00 -0.47 0.21 0.00 -0.31 0.00 0.00 39.34 38.77 1h2t n TYR 149 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81