#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8k n SER 2 N 0.00 -0.72 -0.11 1.61 3.41 -1.26 -4.96 113.62 111.60 2d8k n SER 2 Ca 0.00 0.61 -0.23 0.00 -0.26 0.00 0.00 58.87 58.99 2d8k n SER 2 Cb 0.00 -1.27 -0.11 0.00 -0.26 0.00 0.00 64.21 62.57 2d8k n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2d8k n SER 3 N -0.69 1.88 0.00 4.04 3.41 -1.26 -5.07 113.62 115.93 2d8k n SER 3 Ca 0.11 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 2d8k n SER 3 Cb 0.50 -0.94 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 2d8k n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8k n GLY 4 N 1.43 1.58 3.28 5.00 0.00 -1.26 -5.16 105.19 110.07 2d8k n GLY 4 Ca -0.35 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 2d8k n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8k s SER 5 N 0.00 2.88 -0.39 1.61 0.01 -1.26 -5.11 113.70 111.45 2d8k s SER 5 Ca 0.00 -0.45 -0.15 0.00 1.31 0.00 0.00 55.95 56.66 2d8k s SER 5 Cb 0.00 -0.42 0.01 0.00 0.21 0.00 0.00 66.02 65.82 2d8k s SER 5 CO 0.00 0.29 0.29 -0.44 0.41 0.00 0.00 173.24 173.79 2d8k s SER 6 N -0.48 6.10 0.00 2.44 0.01 -1.26 -4.88 113.70 115.63 2d8k s SER 6 Ca 0.07 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.63 2d8k s SER 6 Cb -0.10 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2d8k s SER 6 CO -0.00 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.87 2d8k n GLY 7 N 5.13 -1.86 0.07 3.44 0.00 -1.26 -4.99 105.19 105.71 2d8k n GLY 7 Ca -0.11 0.92 0.08 0.00 0.00 0.00 0.00 46.02 46.91 2d8k n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d8k n SER 8 N 0.00 0.31 -4.81 1.61 3.41 -1.26 -4.69 113.62 108.19 2d8k n SER 8 Ca 0.00 0.60 -0.22 0.00 -0.26 0.00 0.00 58.87 58.99 2d8k n SER 8 Cb 0.00 -0.65 -0.04 0.00 -0.26 0.00 0.00 64.21 63.25 2d8k n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d8k s ARG 9 N -3.19 2.84 -0.24 4.33 1.70 -1.26 -4.93 118.95 118.19 2d8k s ARG 9 Ca 0.03 -1.13 0.11 0.00 -0.47 0.00 0.00 55.73 54.28 2d8k s ARG 9 Cb 0.07 -2.51 0.45 0.00 -0.57 0.00 0.00 34.95 32.39 2d8k s ARG 9 CO 0.25 0.35 1.20 0.39 -1.08 0.00 0.00 175.30 176.41 2d8k n GLU 10 N -1.19 2.49 -3.88 3.89 -0.58 -1.26 -4.95 120.64 115.17 2d8k n GLU 10 Ca -0.07 -3.67 -0.31 0.00 -0.42 0.00 0.00 57.16 52.70 2d8k n GLU 10 Cb 0.58 -1.85 -0.03 0.00 -0.57 0.00 0.00 31.44 29.58 2d8k n GLU 10 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2d8k n ASN 11 N -0.80 -3.04 0.28 1.62 5.15 -1.26 -4.74 115.26 112.47 2d8k n ASN 11 Ca 0.30 -0.74 0.12 0.00 -0.60 0.00 0.00 54.58 53.66 2d8k n ASN 11 Cb 0.86 -2.53 0.66 0.00 -0.53 0.00 0.00 39.78 38.23 2d8k n ASN 11 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2d8k h LEU 12 N -1.11 0.00 0.00 1.20 -0.00 -1.82 -3.43 115.31 110.15 2d8k h LEU 12 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.38 2d8k h LEU 12 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.98 2d8k h LEU 12 CO 0.66 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.71 2d8k n GLY 13 N -1.24 -1.11 3.11 0.83 0.00 -0.98 -4.36 105.19 101.43 2d8k n GLY 13 Ca -0.02 -2.13 -0.10 0.00 0.00 0.00 0.00 46.02 43.77 2d8k n GLY 13 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2d8k s ARG 14 N 0.00 0.67 -0.03 1.61 1.70 -0.96 -0.55 118.95 121.39 2d8k s ARG 14 Ca 0.00 -1.15 0.02 0.00 -0.47 0.00 0.00 55.73 54.13 2d8k s ARG 14 Cb 0.00 -0.06 0.01 0.00 -0.57 0.00 0.00 34.95 34.33 2d8k s ARG 14 CO 0.00 -0.04 -0.09 -1.50 -1.08 0.00 0.00 175.30 172.59 2d8k s ILE 15 N -3.21 0.83 -0.39 4.99 2.07 -0.70 -2.73 121.20 122.06 2d8k s ILE 15 Ca 0.05 -0.37 -0.06 0.00 -1.41 0.00 0.00 60.65 58.86 2d8k s ILE 15 Cb 0.03 -0.75 0.08 0.00 0.13 0.00 0.00 42.46 41.95 2d8k s ILE 15 CO -0.05 0.26 0.19 -1.58 -1.91 0.00 0.00 174.94 171.85 2d8k s GLN 16 N 0.30 2.38 -0.02 3.50 0.74 -1.20 -3.52 119.66 121.83 2d8k s GLN 16 Ca -0.05 -1.53 0.05 0.00 0.05 0.00 0.00 55.36 53.87 2d8k s GLN 16 Cb -0.10 -3.60 -0.01 0.00 1.10 0.00 0.00 33.01 30.40 2d8k s GLN 16 CO 0.01 -0.92 -0.17 -0.59 -0.55 0.00 0.00 175.29 173.07 2d8k s PHE 17 N 1.30 1.54 -0.15 1.67 -0.71 -1.22 -0.66 117.98 119.76 2d8k s PHE 17 Ca 0.03 -0.33 -0.10 0.00 -1.04 0.00 0.00 56.93 55.49 2d8k s PHE 17 Cb -0.22 -1.01 -0.05 0.00 -1.21 0.00 0.00 43.02 40.53 2d8k s PHE 17 CO -0.01 -0.06 0.20 0.45 -1.34 0.00 0.00 175.22 174.47 2d8k s SER 18 N -0.29 6.37 -0.13 1.98 0.15 0.76 -2.95 113.70 119.59 2d8k s SER 18 Ca 0.04 0.44 -0.00 0.00 0.70 0.00 0.00 55.95 57.12 2d8k s SER 18 Cb -0.08 -2.12 -0.02 0.00 -1.71 0.00 0.00 66.02 62.10 2d8k s SER 18 CO -0.00 0.24 -0.11 -0.69 1.20 0.00 0.00 173.24 173.88 2d8k s VAL 19 N -0.16 3.20 -0.30 4.45 1.01 -0.90 -1.71 120.40 126.00 2d8k s VAL 19 Ca 0.14 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 2d8k s VAL 19 Cb -0.12 -2.35 0.15 0.00 0.00 0.00 0.00 36.38 34.06 2d8k s VAL 19 CO 0.03 0.53 0.70 -0.83 0.00 0.00 0.00 175.10 175.52 2d8k s GLY 20 N 0.26 -0.71 -0.14 4.51 0.00 -0.30 -1.79 107.32 109.14 2d8k s GLY 20 Ca -0.08 2.33 -0.01 0.00 0.00 0.00 0.00 44.72 46.96 2d8k s GLY 20 CO 0.05 3.21 -0.12 -0.47 0.00 0.00 0.00 173.10 175.77 2d8k s TYR 21 N 2.83 2.84 0.10 1.90 6.14 -1.18 0.80 117.35 130.79 2d8k s TYR 21 Ca 0.02 -0.64 -0.17 0.00 0.64 0.00 0.00 57.07 56.92 2d8k s TYR 21 Cb -0.12 -1.87 -0.07 0.00 0.42 0.00 0.00 41.96 40.32 2d8k s TYR 21 CO -0.19 -0.22 0.55 -0.80 0.64 0.00 0.00 175.55 175.53 2d8k s ASN 22 N 0.42 6.94 -0.05 4.32 -0.87 0.13 -4.50 114.94 121.35 2d8k s ASN 22 Ca -0.09 1.17 -0.00 0.00 -1.57 0.00 0.00 52.86 52.36 2d8k s ASN 22 Cb -0.16 -2.32 -0.00 0.00 -0.02 0.00 0.00 41.25 38.75 2d8k s ASN 22 CO 0.05 0.20 0.01 -0.26 -2.57 0.00 0.00 177.10 174.52 2d8k h PHE 23 N 4.09 -0.00 -0.82 2.20 -1.00 -1.92 -1.59 116.94 117.89 2d8k h PHE 23 Ca -0.49 -0.00 0.17 0.00 2.81 0.00 0.00 57.97 60.46 2d8k h PHE 23 Cb 1.20 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 40.66 2d8k h PHE 23 CO 0.67 -0.00 0.35 1.96 -1.61 0.00 0.00 178.31 179.67 2d8k h GLN 24 N -0.48 0.44 0.00 1.51 4.20 -1.99 0.59 115.11 119.38 2d8k h GLN 24 Ca -0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2d8k h GLN 24 Cb 0.00 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.68 2d8k h GLN 24 CO 0.00 0.29 0.00 0.39 -0.67 0.00 0.00 178.83 178.84 2d8k n GLU 25 N -5.00 0.21 -4.07 1.46 -0.58 -1.26 -4.93 120.64 106.46 2d8k n GLU 25 Ca 0.17 0.19 -0.33 0.00 -0.42 0.00 0.00 57.16 56.77 2d8k n GLU 25 Cb 0.50 -1.75 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 2d8k n GLU 25 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2d8k n SER 26 N -2.11 -1.47 -3.85 1.62 2.88 0.21 -4.95 113.62 105.95 2d8k n SER 26 Ca 0.06 -1.17 -0.12 0.00 -1.33 0.00 0.00 58.87 56.31 2d8k n SER 26 Cb 0.40 -2.28 -0.10 0.00 -0.75 0.00 0.00 64.21 61.47 2d8k n SER 26 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2d8k s THR 27 N -3.93 0.07 -0.00 2.46 2.01 -1.01 -4.19 115.64 111.05 2d8k s THR 27 Ca 0.18 -0.58 -0.08 0.00 0.31 0.00 0.00 61.69 61.52 2d8k s THR 27 Cb -0.09 -0.44 -0.05 0.00 0.01 0.00 0.00 72.50 71.93 2d8k s THR 27 CO 0.94 -0.32 0.29 -0.22 -0.69 0.00 0.00 174.62 174.62 2d8k s LEU 28 N -1.20 4.38 -0.25 4.42 2.96 -1.13 -0.69 118.68 127.17 2d8k s LEU 28 Ca -0.13 0.63 0.02 0.00 -0.22 0.00 0.00 54.13 54.44 2d8k s LEU 28 Cb -0.07 -2.62 0.06 0.00 0.50 0.00 0.00 46.19 44.06 2d8k s LEU 28 CO 0.02 0.27 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.34 2d8k s THR 29 N -1.25 1.95 -0.31 3.68 2.01 0.24 -2.46 115.64 119.51 2d8k s THR 29 Ca 0.26 -1.51 0.02 0.00 0.31 0.00 0.00 61.69 60.77 2d8k s THR 29 Cb -0.14 -2.12 0.08 0.00 0.01 0.00 0.00 72.50 70.33 2d8k s THR 29 CO 0.14 -0.06 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.32 2d8k s VAL 30 N 1.20 2.48 -0.18 3.82 1.01 -1.18 -1.15 120.40 126.40 2d8k s VAL 30 Ca -0.08 -1.85 -0.07 0.00 0.00 0.00 0.00 61.98 59.98 2d8k s VAL 30 Cb -0.20 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2d8k s VAL 30 CO -0.05 -0.29 0.05 -0.75 0.00 0.00 0.00 175.10 174.06 2d8k s LYS 31 N 1.07 3.92 -0.75 2.72 2.20 -0.69 -2.81 119.74 125.40 2d8k s LYS 31 Ca -0.00 -0.37 -0.13 0.00 -0.36 0.00 0.00 55.97 55.10 2d8k s LYS 31 Cb -0.20 -3.19 0.20 0.00 -1.51 0.00 0.00 37.83 33.13 2d8k s LYS 31 CO -0.05 0.23 0.69 0.42 -0.36 0.00 0.00 175.35 176.28 2d8k s ILE 32 N 0.47 5.36 0.00 5.43 -1.09 -1.10 -0.17 121.20 130.10 2d8k s ILE 32 Ca 0.02 -2.32 0.00 0.00 -2.23 0.00 0.00 60.65 56.12 2d8k s ILE 32 Cb -0.13 -4.35 0.00 0.00 -1.58 0.00 0.00 42.46 36.40 2d8k s ILE 32 CO 0.01 -0.98 0.83 0.23 -1.23 0.00 0.00 174.94 173.79 2d8k n MET 33 N 4.18 0.00 -3.66 2.79 2.81 0.17 -0.88 117.12 122.52 2d8k n MET 33 Ca 0.08 0.77 0.01 0.00 -1.81 0.00 0.00 57.70 56.76 2d8k n MET 33 Cb 0.45 -1.33 -0.00 0.00 -0.71 0.00 0.00 33.22 31.63 2d8k n MET 33 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2d8k s LYS 34 N -2.31 0.48 0.06 0.03 0.00 -1.24 -1.97 119.74 114.79 2d8k s LYS 34 Ca 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 55.97 55.73 2d8k s LYS 34 Cb 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 37.83 37.95 2d8k s LYS 34 CO 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 175.35 175.13 2d8k s ALA 35 N -2.46 3.31 0.08 0.59 0.00 -0.87 -3.23 121.76 119.17 2d8k s ALA 35 Ca 0.15 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 2d8k s ALA 35 Cb 0.04 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.87 2d8k s ALA 35 CO -0.03 0.69 0.09 -0.65 0.00 0.00 0.00 175.76 175.86 2d8k s GLN 36 N -2.06 0.77 -1.37 0.00 -1.52 -1.10 -3.87 119.66 110.50 2d8k s GLN 36 Ca 0.24 -1.13 -0.01 0.00 -1.95 0.00 0.00 55.36 52.52 2d8k s GLN 36 Cb -0.12 0.28 0.00 0.00 -0.22 0.00 0.00 33.01 32.96 2d8k s GLN 36 CO 0.16 -0.21 0.54 0.39 -0.25 0.00 0.00 175.29 175.92 2d8k n GLU 37 N 0.00 -3.96 -3.64 2.91 -0.58 -1.26 -2.27 120.64 111.83 2d8k n GLU 37 Ca -0.13 0.49 -0.36 0.00 -0.42 0.00 0.00 57.16 56.74 2d8k n GLU 37 Cb 0.62 -4.81 -0.07 0.00 -0.57 0.00 0.00 31.44 26.61 2d8k n GLU 37 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2d8k s LEU 38 N -6.86 4.26 0.74 -4.62 1.43 -1.26 -2.32 118.68 110.04 2d8k s LEU 38 Ca 0.02 0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 53.42 2d8k s LEU 38 Cb -0.01 -2.24 0.04 0.00 0.03 0.00 0.00 46.19 44.00 2d8k s LEU 38 CO 0.86 0.17 1.10 -2.16 0.23 0.00 0.00 176.35 176.55 2d8k s PRO 39 N 0.19 2.42 -0.15 1.29 0.04 -1.26 -4.88 135.00 132.64 2d8k s PRO 39 Ca 0.13 1.24 -0.04 0.00 0.04 0.00 0.00 61.00 62.38 2d8k s PRO 39 Cb -0.12 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 2d8k s PRO 39 CO 0.02 -1.53 -0.03 0.00 0.04 0.00 0.00 177.00 175.50 2d8k s ALA 40 N -2.72 3.05 -0.04 8.56 0.00 -1.26 -4.81 121.76 124.54 2d8k s ALA 40 Ca 0.63 -0.81 -0.13 0.00 0.00 0.00 0.00 51.96 51.65 2d8k s ALA 40 Cb -0.18 -1.57 -0.32 0.00 0.00 0.00 0.00 23.12 21.05 2d8k s ALA 40 CO 0.51 0.24 0.73 0.87 0.00 0.00 0.00 175.76 178.12 2d8k h LYS 41 N 6.57 0.42 -7.31 0.00 1.79 -1.90 -3.47 116.57 112.67 2d8k h LYS 41 Ca -0.33 -0.72 -0.49 0.00 -2.18 0.00 0.00 60.65 56.92 2d8k h LYS 41 Cb 1.19 0.27 0.06 0.00 -1.58 0.00 0.00 32.23 32.17 2d8k h LYS 41 CO 0.63 1.34 0.34 -0.51 -1.08 0.00 0.00 179.45 180.17 2d8k s ASP 42 N -7.35 5.81 0.19 0.86 1.11 -1.26 -4.99 116.67 111.04 2d8k s ASP 42 Ca -0.15 1.12 -0.06 0.00 0.18 0.00 0.00 52.55 53.63 2d8k s ASP 42 Cb 0.05 -2.09 0.11 0.00 1.07 0.00 0.00 42.92 42.06 2d8k s ASP 42 CO 0.87 -1.06 1.58 0.15 1.18 0.00 0.00 175.17 177.89 2d8k h PHE 43 N -0.36 0.96 -0.97 4.23 3.57 -1.90 -3.12 116.94 119.34 2d8k h PHE 43 Ca -0.45 -0.24 0.32 0.00 3.53 0.00 0.00 57.97 61.13 2d8k h PHE 43 Cb 1.23 -0.22 -0.17 0.00 2.79 0.00 0.00 35.95 39.58 2d8k h PHE 43 CO 0.55 1.01 0.28 0.77 -2.23 0.00 0.00 178.31 178.69 2d8k h SER 44 N 0.71 -0.04 0.00 0.41 0.02 -1.98 -3.44 113.55 109.22 2d8k h SER 44 Ca 0.08 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 2d8k h SER 44 Cb 0.82 0.35 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2d8k h SER 44 CO 0.07 -0.33 0.00 0.61 -1.14 0.00 0.00 176.83 176.04 2d8k n GLY 45 N -1.38 1.60 3.63 -3.77 0.00 -1.18 -5.11 105.19 98.98 2d8k n GLY 45 Ca 0.29 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 2d8k n GLY 45 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2d8k s THR 46 N -1.75 2.18 0.33 2.61 -1.32 -1.26 -4.53 115.64 111.90 2d8k s THR 46 Ca 0.00 -1.97 -0.11 0.00 -1.21 0.00 0.00 61.69 58.40 2d8k s THR 46 Cb 0.00 -2.92 0.02 0.00 -1.51 0.00 0.00 72.50 68.10 2d8k s THR 46 CO 0.00 -0.06 0.61 -0.44 -2.21 0.00 0.00 174.62 172.52 2d8k s SER 47 N -3.73 0.29 -0.95 8.08 0.01 -1.26 -4.09 113.70 112.05 2d8k s SER 47 Ca 0.36 -1.18 -0.02 0.00 1.31 0.00 0.00 55.95 56.42 2d8k s SER 47 Cb 0.06 0.72 0.27 0.00 0.21 0.00 0.00 66.02 67.28 2d8k s SER 47 CO 0.19 -1.42 1.07 -0.67 0.41 0.00 0.00 173.24 172.82 2d8k n ASP 48 N -1.13 5.08 -4.73 2.44 2.03 -1.26 -2.90 116.55 116.09 2d8k n ASP 48 Ca -0.03 -3.27 -0.30 0.00 0.52 0.00 0.00 54.79 51.70 2d8k n ASP 48 Cb 0.61 -1.11 0.12 0.00 -0.72 0.00 0.00 41.12 40.02 2d8k n ASP 48 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2d8k s PRO 49 N -2.05 1.58 -0.29 -0.67 0.04 -1.26 -0.99 135.00 131.37 2d8k s PRO 49 Ca 0.32 0.94 -0.23 0.00 0.04 0.00 0.00 61.00 62.07 2d8k s PRO 49 Cb 0.01 -1.84 0.14 0.00 0.04 0.00 0.00 34.50 32.85 2d8k s PRO 49 CO -0.02 -2.05 1.10 -0.59 0.04 0.00 0.00 177.00 175.48 2d8k s PHE 50 N -2.92 -0.41 0.14 0.56 -0.12 -0.84 -3.76 117.98 110.62 2d8k s PHE 50 Ca 0.63 0.94 -0.21 0.00 -0.05 0.00 0.00 56.93 58.24 2d8k s PHE 50 Cb -0.18 0.37 -0.07 0.00 -0.63 0.00 0.00 43.02 42.51 2d8k s PHE 50 CO 0.57 -0.20 0.66 0.08 -0.05 0.00 0.00 175.22 176.28 2d8k s VAL 51 N 0.48 4.60 -0.13 -2.49 1.01 -1.26 -2.34 120.40 120.27 2d8k s VAL 51 Ca 0.01 1.35 0.02 0.00 0.00 0.00 0.00 61.98 63.36 2d8k s VAL 51 Cb -0.05 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.39 2d8k s VAL 51 CO -0.10 0.45 -0.21 -0.54 0.00 0.00 0.00 175.10 174.70 2d8k s LYS 52 N -1.36 2.89 -0.16 2.72 1.02 -0.32 -0.48 119.74 124.05 2d8k s LYS 52 Ca 0.34 -0.81 -0.10 0.00 0.02 0.00 0.00 55.97 55.42 2d8k s LYS 52 Cb -0.20 -2.34 -0.05 0.00 -0.52 0.00 0.00 37.83 34.72 2d8k s LYS 52 CO 0.22 -0.02 0.19 0.42 -0.92 0.00 0.00 175.35 175.24 2d8k s ILE 53 N 0.83 5.39 -0.12 2.17 1.01 0.11 -2.26 121.20 128.34 2d8k s ILE 53 Ca -0.07 0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.85 2d8k s ILE 53 Cb -0.15 -3.50 0.06 0.00 0.01 0.00 0.00 42.46 38.87 2d8k s ILE 53 CO -0.02 0.49 0.22 -0.31 0.00 0.00 0.00 174.94 175.32 2d8k s TYR 54 N -0.09 -0.32 -1.11 3.97 1.51 -0.69 -1.99 117.35 118.62 2d8k s TYR 54 Ca 0.13 0.79 -0.16 0.00 -1.01 0.00 0.00 57.07 56.82 2d8k s TYR 54 Cb -0.12 -0.14 0.15 0.00 -0.11 0.00 0.00 41.96 41.74 2d8k s TYR 54 CO 0.02 -0.34 1.34 -0.51 -1.11 0.00 0.00 175.55 174.95 2d8k s LEU 55 N 2.37 4.99 0.55 -1.29 1.43 -1.26 -1.77 118.68 123.69 2d8k s LEU 55 Ca 0.02 -2.63 -0.19 0.00 -1.03 0.00 0.00 54.13 50.30 2d8k s LEU 55 Cb -0.12 -2.41 -0.06 0.00 0.03 0.00 0.00 46.19 43.63 2d8k s LEU 55 CO -0.08 -0.88 1.09 -0.76 0.23 0.00 0.00 176.35 175.95 2d8k s LEU 56 N 2.09 3.70 0.21 1.79 1.43 -1.03 -1.92 118.68 124.96 2d8k s LEU 56 Ca 0.40 2.02 -0.03 0.00 -1.03 0.00 0.00 54.13 55.49 2d8k s LEU 56 Cb -0.03 -4.56 0.17 0.00 0.03 0.00 0.00 46.19 41.80 2d8k s LEU 56 CO -0.03 -1.12 1.57 1.55 0.23 0.00 0.00 176.35 178.55 2d8k h PRO 57 N 1.07 0.61 -3.92 1.29 0.13 -1.88 -0.96 132.00 128.33 2d8k h PRO 57 Ca -0.49 -0.32 -0.51 0.00 -0.87 0.00 0.00 66.00 63.81 2d8k h PRO 57 Cb 1.24 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2d8k h PRO 57 CO 0.57 0.92 0.81 -3.47 -0.23 0.00 0.00 178.00 176.60 2d8k n ASP 58 N -4.02 0.53 -2.05 1.44 2.03 -0.81 -4.79 116.55 108.88 2d8k n ASP 58 Ca -0.02 0.48 -0.26 0.00 0.52 0.00 0.00 54.79 55.51 2d8k n ASP 58 Cb 0.53 -0.59 0.06 0.00 -0.72 0.00 0.00 41.12 40.41 2d8k n ASP 58 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2d8k n LYS 59 N 4.63 3.07 0.01 -0.67 4.76 -1.26 -3.98 118.16 124.72 2d8k n LYS 59 Ca 0.34 -3.73 -0.01 0.00 -2.87 0.00 0.00 58.31 52.04 2d8k n LYS 59 Cb -0.03 -2.23 -0.00 0.00 -1.84 0.00 0.00 35.03 30.92 2d8k n LYS 59 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2d8k n LYS 60 N -0.84 0.04 -2.87 1.97 3.00 -1.26 -4.88 118.16 113.32 2d8k n LYS 60 Ca 0.50 0.02 -0.44 0.00 -0.00 0.00 0.00 58.31 58.39 2d8k n LYS 60 Cb 0.87 -0.56 0.00 0.00 0.00 0.00 0.00 35.03 35.34 2d8k n LYS 60 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2d8k n HIS 61 N -3.27 4.90 -4.30 5.64 8.25 -1.26 -4.96 115.22 120.22 2d8k n HIS 61 Ca -0.03 -3.25 -0.24 0.00 -0.26 0.00 0.00 57.72 53.95 2d8k n HIS 61 Cb 0.33 -2.29 -0.12 0.00 1.12 0.00 0.00 29.99 29.03 2d8k n HIS 61 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2d8k s LYS 62 N 2.14 1.16 0.38 -0.41 0.00 -1.26 -4.32 119.74 117.44 2d8k s LYS 62 Ca 0.45 -1.20 0.04 0.00 0.00 0.00 0.00 55.97 55.25 2d8k s LYS 62 Cb -0.01 -1.43 -0.03 0.00 0.00 0.00 0.00 37.83 36.35 2d8k s LYS 62 CO 0.02 0.33 0.12 -0.51 0.00 0.00 0.00 175.35 175.30 2d8k s LEU 63 N -2.00 1.99 0.06 2.77 1.02 -0.84 -5.01 118.68 116.66 2d8k s LEU 63 Ca 0.08 -1.60 -0.13 0.00 0.02 0.00 0.00 54.13 52.50 2d8k s LEU 63 Cb -0.10 -0.14 0.02 0.00 0.02 0.00 0.00 46.19 45.99 2d8k s LEU 63 CO 0.05 -0.86 0.28 -0.70 0.02 0.00 0.00 176.35 175.14 2d8k s GLU 64 N -3.77 0.82 0.02 1.70 -6.30 -1.26 0.08 118.70 109.99 2d8k s GLU 64 Ca 0.27 -0.60 -0.09 0.00 -2.50 0.00 0.00 54.97 52.05 2d8k s GLU 64 Cb 0.04 0.35 -0.05 0.00 0.00 0.00 0.00 34.13 34.47 2d8k s GLU 64 CO 0.15 -0.27 0.32 0.95 0.02 0.00 0.00 175.26 176.43 2d8k s THR 65 N -2.85 5.21 1.00 -1.70 -4.23 0.36 -4.96 115.64 108.48 2d8k s THR 65 Ca -0.03 0.36 -0.20 0.00 -1.18 0.00 0.00 61.69 60.65 2d8k s THR 65 Cb 0.00 -3.60 -0.13 0.00 1.34 0.00 0.00 72.50 70.11 2d8k s THR 65 CO -0.05 0.40 -0.84 0.29 -0.54 0.00 0.00 174.62 173.87 2d8k n LYS 66 N 1.23 -0.12 -3.97 3.99 4.76 -1.26 -4.27 118.16 118.52 2d8k n LYS 66 Ca -0.11 -0.03 -0.33 0.00 -2.87 0.00 0.00 58.31 54.96 2d8k n LYS 66 Cb 0.53 -1.13 -0.14 0.00 -1.84 0.00 0.00 35.03 32.45 2d8k n LYS 66 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2d8k s VAL 67 N -2.06 2.63 -0.39 -0.18 1.01 -1.26 -4.59 120.40 115.56 2d8k s VAL 67 Ca 0.42 -1.69 -0.25 0.00 0.00 0.00 0.00 61.98 60.46 2d8k s VAL 67 Cb -0.10 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.67 2d8k s VAL 67 CO 0.76 -0.22 0.86 -0.54 0.00 0.00 0.00 175.10 175.96 2d8k s LYS 68 N 1.13 3.72 0.63 2.72 -0.14 -1.25 -4.98 119.74 121.58 2d8k s LYS 68 Ca -0.03 0.35 -0.15 0.00 -1.36 0.00 0.00 55.97 54.79 2d8k s LYS 68 Cb -0.20 -3.84 -0.02 0.00 -1.68 0.00 0.00 37.83 32.09 2d8k s LYS 68 CO -0.04 -0.98 1.07 1.03 -0.76 0.00 0.00 175.35 175.68 2d8k s ARG 69 N 3.38 3.09 -1.27 1.68 1.81 -1.26 -3.90 118.95 122.48 2d8k s ARG 69 Ca 0.35 1.21 -0.06 0.00 -1.72 0.00 0.00 55.73 55.50 2d8k s ARG 69 Cb -0.12 -2.00 -0.01 0.00 -0.45 0.00 0.00 34.95 32.37 2d8k s ARG 69 CO 0.20 -0.99 0.68 1.63 -0.68 0.00 0.00 175.30 176.13 2d8k n LYS 70 N -2.36 -3.38 -3.23 3.54 5.02 -1.23 -4.98 118.16 111.55 2d8k n LYS 70 Ca 0.09 0.55 0.04 0.00 -2.02 0.00 0.00 58.31 56.96 2d8k n LYS 70 Cb 0.53 -4.80 -0.02 0.00 -0.02 0.00 0.00 35.03 30.72 2d8k n LYS 70 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2d8k s ASN 71 N -4.06 -0.77 0.01 4.39 3.84 -1.14 -4.94 114.94 112.25 2d8k s ASN 71 Ca 0.16 0.62 0.05 0.00 0.21 0.00 0.00 52.86 53.90 2d8k s ASN 71 Cb -0.05 1.70 -0.24 0.00 -0.55 0.00 0.00 41.25 42.11 2d8k s ASN 71 CO 0.84 -0.15 0.86 -0.07 -2.79 0.00 0.00 177.10 175.79 2d8k h LEU 72 N 7.89 0.15 -4.59 3.21 3.38 -1.89 -3.38 115.31 120.08 2d8k h LEU 72 Ca -0.17 -0.23 -0.60 0.00 0.09 0.00 0.00 57.88 56.97 2d8k h LEU 72 Cb 1.15 -0.05 -0.41 0.00 0.09 0.00 0.00 40.66 41.45 2d8k h LEU 72 CO 0.05 1.19 -0.60 0.59 0.09 0.00 0.00 178.44 179.77 2d8k n ASN 73 N -3.27 4.91 -4.72 -0.43 3.02 -1.26 -4.24 115.26 109.26 2d8k n ASN 73 Ca -0.13 -3.73 -0.30 0.00 -0.03 0.00 0.00 54.58 50.39 2d8k n ASN 73 Cb 1.02 -0.51 0.14 0.00 -0.61 0.00 0.00 39.78 39.82 2d8k n ASN 73 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2d8k s PRO 74 N -3.58 1.22 -0.19 3.52 0.04 -1.25 -4.66 135.00 130.10 2d8k s PRO 74 Ca 0.48 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2d8k s PRO 74 Cb 0.40 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 33.15 2d8k s PRO 74 CO -0.20 -2.26 -0.16 -3.38 0.04 0.00 0.00 177.00 171.04 2d8k s HIS 75 N -2.94 2.85 -0.21 0.56 -3.43 -1.26 -2.06 115.29 108.80 2d8k s HIS 75 Ca 0.63 -1.57 -0.18 0.00 -0.80 0.00 0.00 55.06 53.15 2d8k s HIS 75 Cb -0.18 -1.96 -0.19 0.00 -1.43 0.00 0.00 32.58 28.82 2d8k s HIS 75 CO 0.57 -0.77 0.13 0.91 -2.00 0.00 0.00 174.74 173.59 2d8k n TRP 76 N 4.64 0.87 -4.11 0.38 8.01 -1.19 -4.98 117.44 121.06 2d8k n TRP 76 Ca -0.20 0.34 -0.30 0.00 -1.31 0.00 0.00 57.50 56.04 2d8k n TRP 76 Cb 0.50 -1.09 -0.04 0.00 -2.01 0.00 0.00 31.31 28.67 2d8k n TRP 76 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 2d8k n ASN 77 N -4.27 -1.01 -4.91 -0.99 3.02 -0.06 -4.94 115.26 102.10 2d8k n ASN 77 Ca -0.36 -1.06 -0.30 0.00 -0.03 0.00 0.00 54.58 52.83 2d8k n ASN 77 Cb 0.76 -2.68 -0.04 0.00 -0.61 0.00 0.00 39.78 37.21 2d8k n ASN 77 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2d8k s GLU 78 N -6.82 3.52 -0.27 3.52 0.41 -1.25 -4.91 118.70 112.90 2d8k s GLU 78 Ca 0.24 -0.30 0.03 0.00 -0.41 0.00 0.00 54.97 54.53 2d8k s GLU 78 Cb -0.13 -2.92 0.06 0.00 -1.78 0.00 0.00 34.13 29.35 2d8k s GLU 78 CO 0.92 0.51 -0.09 0.99 -0.49 0.00 0.00 175.26 177.10 2d8k s THR 79 N -1.65 2.26 0.20 3.63 2.01 -1.26 -2.71 115.64 118.12 2d8k s THR 79 Ca 0.38 -1.65 0.02 0.00 0.31 0.00 0.00 61.69 60.75 2d8k s THR 79 Cb -0.12 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 2d8k s THR 79 CO 0.27 -0.06 0.36 -0.36 -0.69 0.00 0.00 174.62 174.13 2d8k s PHE 80 N 1.11 3.48 -0.05 4.92 0.08 -1.12 -4.99 117.98 121.39 2d8k s PHE 80 Ca -0.08 0.19 -0.02 0.00 0.12 0.00 0.00 56.93 57.15 2d8k s PHE 80 Cb -0.20 -1.74 0.04 0.00 -0.57 0.00 0.00 43.02 40.55 2d8k s PHE 80 CO -0.05 0.42 0.10 -0.51 -0.10 0.00 0.00 175.22 175.08 2d8k s LEU 81 N -3.49 0.34 -0.41 -0.37 1.43 -1.26 -3.09 118.68 111.83 2d8k s LEU 81 Ca 0.36 0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 53.55 2d8k s LEU 81 Cb -0.11 0.09 0.06 0.00 0.03 0.00 0.00 46.19 46.26 2d8k s LEU 81 CO 0.29 -0.21 0.25 -0.36 0.23 0.00 0.00 176.35 176.56 2d8k s PHE 82 N 1.84 3.29 0.13 0.29 0.08 -1.03 -4.93 117.98 117.65 2d8k s PHE 82 Ca -0.01 -1.25 -0.03 0.00 0.12 0.00 0.00 56.93 55.77 2d8k s PHE 82 Cb -0.12 -2.77 -0.05 0.00 -0.57 0.00 0.00 43.02 39.51 2d8k s PHE 82 CO -0.04 -0.77 0.34 -1.21 -0.10 0.00 0.00 175.22 173.44 2d8k s GLU 83 N 1.50 3.56 0.00 0.44 2.02 -1.26 -2.83 118.70 122.13 2d8k s GLU 83 Ca 0.03 -0.21 0.00 0.00 0.02 0.00 0.00 54.97 54.81 2d8k s GLU 83 Cb -0.22 -2.89 0.00 0.00 0.10 0.00 0.00 34.13 31.12 2d8k s GLU 83 CO 0.04 0.49 0.00 0.41 0.02 0.00 0.00 175.26 176.22 2d8k n GLY 84 N 0.03 1.06 2.70 -1.39 0.00 -1.26 -5.07 105.19 101.25 2d8k n GLY 84 Ca -0.03 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 2d8k n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2d8k s PHE 85 N -2.25 -0.18 0.38 1.61 0.40 -1.26 -5.12 117.98 111.57 2d8k s PHE 85 Ca 0.00 -0.13 -0.26 0.00 -0.60 0.00 0.00 56.93 55.94 2d8k s PHE 85 Cb 0.00 -0.52 -0.09 0.00 0.51 0.00 0.00 43.02 42.93 2d8k s PHE 85 CO 0.00 -0.72 1.20 -1.25 0.70 0.00 0.00 175.22 175.14 2d8k s PRO 86 N 2.28 4.12 0.13 0.24 0.04 -1.26 -4.50 135.00 136.04 2d8k s PRO 86 Ca 0.07 1.92 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 2d8k s PRO 86 Cb -0.15 -2.76 -0.09 0.00 0.04 0.00 0.00 34.50 31.53 2d8k s PRO 86 CO -0.22 -0.29 1.50 -0.92 0.04 0.00 0.00 177.00 177.11 2d8k h TYR 87 N 2.80 -1.61 -1.12 0.56 5.03 -1.92 0.74 116.97 121.45 2d8k h TYR 87 Ca -0.49 0.09 0.32 0.00 2.58 0.00 0.00 58.73 61.23 2d8k h TYR 87 Cb 1.23 0.77 -0.04 0.00 1.55 0.00 0.00 36.73 40.24 2d8k h TYR 87 CO 0.55 -0.42 1.21 -0.85 -1.32 0.00 0.00 178.16 177.33 2d8k n GLU 88 N -5.11 0.01 -0.09 1.82 0.28 -1.26 -0.91 120.64 115.38 2d8k n GLU 88 Ca -0.02 0.99 -0.12 0.00 -0.16 0.00 0.00 57.16 57.85 2d8k n GLU 88 Cb 0.29 -2.44 -0.04 0.00 1.43 0.00 0.00 31.44 30.68 2d8k n GLU 88 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2d8k n LYS 89 N -3.25 0.52 -0.60 3.44 5.02 0.22 -4.23 118.16 119.28 2d8k n LYS 89 Ca 0.25 0.30 0.46 0.00 -2.02 0.00 0.00 58.31 57.31 2d8k n LYS 89 Cb 1.54 -1.51 0.72 0.00 -0.02 0.00 0.00 35.03 35.76 2d8k n LYS 89 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2d8k n VAL 90 N -4.46 -0.06 -0.09 -0.18 3.14 0.90 0.22 118.33 117.81 2d8k n VAL 90 Ca -0.19 1.45 -0.14 0.00 -2.96 0.00 0.00 64.34 62.50 2d8k n VAL 90 Cb 0.53 -2.40 -0.05 0.00 -1.06 0.00 0.00 33.84 30.86 2d8k n VAL 90 CO 0.00 0.00 0.00 -0.37 -6.46 0.00 0.00 176.83 170.00 2d8k h VAL 91 N 0.00 1.31 0.00 1.55 -1.51 -1.46 -2.81 116.25 113.33 2d8k h VAL 91 Ca 0.85 -1.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 2d8k h VAL 91 Cb 3.27 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 34.07 2d8k h VAL 91 CO -0.12 0.48 0.00 0.00 -1.23 0.00 0.00 177.57 176.70 2d8k n GLN 92 N -4.26 0.17 -2.52 5.19 6.02 0.61 -2.88 117.38 119.72 2d8k n GLN 92 Ca -0.04 0.52 -0.25 0.00 -0.01 0.00 0.00 57.00 57.22 2d8k n GLN 92 Cb 0.49 -1.91 0.03 0.00 1.02 0.00 0.00 30.24 29.87 2d8k n GLN 92 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2d8k s ARG 93 N -3.42 2.79 -0.03 -1.09 1.81 -1.01 -4.83 118.95 113.17 2d8k s ARG 93 Ca 0.01 -0.24 0.03 0.00 -1.72 0.00 0.00 55.73 53.81 2d8k s ARG 93 Cb 0.08 -2.34 0.00 0.00 -0.45 0.00 0.00 34.95 32.24 2d8k s ARG 93 CO 0.30 -0.70 -0.12 0.42 -0.68 0.00 0.00 175.30 174.52 2d8k s ILE 94 N -2.91 1.04 -0.15 1.52 1.01 -0.37 -2.36 121.20 118.98 2d8k s ILE 94 Ca 0.54 -0.50 -0.29 0.00 0.00 0.00 0.00 60.65 60.39 2d8k s ILE 94 Cb -0.10 -0.91 -0.01 0.00 0.01 0.00 0.00 42.46 41.45 2d8k s ILE 94 CO 0.43 0.31 1.09 -0.22 0.00 0.00 0.00 174.94 176.55 2d8k s LEU 95 N 0.11 4.19 -0.17 2.97 2.96 0.18 -2.46 118.68 126.46 2d8k s LEU 95 Ca -0.03 1.55 -0.01 0.00 -0.22 0.00 0.00 54.13 55.42 2d8k s LEU 95 Cb -0.09 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 43.05 2d8k s LEU 95 CO 0.01 -0.60 -0.14 -0.47 -1.32 0.00 0.00 176.35 173.83 2d8k s TYR 96 N 2.73 2.82 -0.19 5.38 5.04 -0.73 -1.66 117.35 130.74 2d8k s TYR 96 Ca 0.49 -1.08 -0.00 0.00 -2.44 0.00 0.00 57.07 54.04 2d8k s TYR 96 Cb -0.19 -1.94 0.05 0.00 0.35 0.00 0.00 41.96 40.23 2d8k s TYR 96 CO 0.14 -0.52 -0.06 -0.51 -1.34 0.00 0.00 175.55 173.25 2d8k s LEU 97 N 0.99 1.96 -0.11 6.97 1.43 -0.73 -1.71 118.68 127.48 2d8k s LEU 97 Ca -0.02 -0.83 0.01 0.00 -1.03 0.00 0.00 54.13 52.26 2d8k s LEU 97 Cb -0.15 -1.03 0.02 0.00 0.03 0.00 0.00 46.19 45.06 2d8k s LEU 97 CO -0.02 -0.19 -0.14 -1.58 0.23 0.00 0.00 176.35 174.64 2d8k s GLN 98 N 1.54 2.14 -0.25 1.70 0.74 -0.96 0.28 119.66 124.85 2d8k s GLN 98 Ca -0.01 -0.52 -0.09 0.00 0.05 0.00 0.00 55.36 54.79 2d8k s GLN 98 Cb -0.16 -1.87 -0.04 0.00 1.10 0.00 0.00 33.01 32.03 2d8k s GLN 98 CO -0.08 -0.11 0.12 0.08 -0.55 0.00 0.00 175.29 174.75 2d8k s VAL 99 N 1.13 4.77 0.42 1.34 1.01 0.13 -1.17 120.40 128.02 2d8k s VAL 99 Ca -0.04 -0.02 0.06 0.00 0.00 0.00 0.00 61.98 61.99 2d8k s VAL 99 Cb -0.14 -3.24 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 2d8k s VAL 99 CO -0.04 0.32 0.01 -0.76 0.00 0.00 0.00 175.10 174.63 2d8k s LEU 100 N 1.51 2.80 -0.33 3.92 1.02 -0.99 -2.12 118.68 124.49 2d8k s LEU 100 Ca 0.06 -1.40 -0.04 0.00 0.02 0.00 0.00 54.13 52.76 2d8k s LEU 100 Cb -0.15 -0.87 0.05 0.00 0.02 0.00 0.00 46.19 45.24 2d8k s LEU 100 CO 0.06 -0.50 0.08 -1.81 0.02 0.00 0.00 176.35 174.20 2d8k s ASP 101 N -3.72 5.16 -0.20 2.29 1.01 -1.26 -2.00 116.67 117.96 2d8k s ASP 101 Ca 0.32 -1.28 -0.29 0.00 0.71 0.00 0.00 52.55 52.01 2d8k s ASP 101 Cb 0.09 -1.81 0.00 0.00 1.01 0.00 0.00 42.92 42.21 2d8k s ASP 101 CO 0.16 -0.33 1.06 -0.47 0.21 0.00 0.00 175.17 175.80 2d8k s TYR 102 N 1.33 3.32 0.04 4.23 6.14 -0.16 -4.66 117.35 127.58 2d8k s TYR 102 Ca -0.02 1.44 -0.07 0.00 0.64 0.00 0.00 57.07 59.06 2d8k s TYR 102 Cb -0.20 -3.28 -0.00 0.00 0.42 0.00 0.00 41.96 38.90 2d8k s TYR 102 CO 0.01 -0.57 0.14 -0.51 0.64 0.00 0.00 175.55 175.26 2d8k s ASP 103 N 1.26 0.10 0.47 4.32 1.01 -1.26 -4.15 116.67 118.41 2d8k s ASP 103 Ca 0.46 -0.43 0.40 0.00 0.71 0.00 0.00 52.55 53.69 2d8k s ASP 103 Cb -0.16 0.25 1.49 0.00 1.01 0.00 0.00 42.92 45.51 2d8k s ASP 103 CO 0.09 -0.52 1.40 -1.14 0.21 0.00 0.00 175.17 175.21 2d8k n ARG 104 N 0.78 -0.01 -2.19 8.23 0.63 -1.26 -4.11 116.66 118.73 2d8k n ARG 104 Ca -0.19 1.02 -0.43 0.00 -0.92 0.00 0.00 57.85 57.33 2d8k n ARG 104 Cb 0.58 -2.24 -0.02 0.00 0.45 0.00 0.00 32.46 31.23 2d8k n ARG 104 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2d8k s PHE 105 N -4.79 2.24 0.26 -0.14 0.08 -1.26 -4.89 117.98 109.48 2d8k s PHE 105 Ca -0.05 0.62 -0.05 0.00 0.12 0.00 0.00 56.93 57.57 2d8k s PHE 105 Cb 0.25 -3.96 0.51 0.00 -0.57 0.00 0.00 43.02 39.24 2d8k s PHE 105 CO 0.78 -2.65 1.63 1.03 -0.10 0.00 0.00 175.22 175.91 2d8k h SER 106 N 10.38 -0.35 -1.04 1.36 0.87 -2.02 -3.36 113.55 119.40 2d8k h SER 106 Ca -0.32 0.21 -0.34 0.00 -1.23 0.00 0.00 61.79 60.12 2d8k h SER 106 Cb 1.14 0.36 -0.01 0.00 -0.44 0.00 0.00 62.40 63.46 2d8k h SER 106 CO 1.01 -0.20 1.23 -1.14 -0.53 0.00 0.00 176.83 177.20 2d8k n ARG 107 N -5.36 0.76 -3.12 2.24 0.63 -1.26 -4.86 116.66 105.69 2d8k n ARG 107 Ca 0.16 -0.24 -0.45 0.00 -0.92 0.00 0.00 57.85 56.40 2d8k n ARG 107 Cb 0.53 -3.22 -0.01 0.00 0.45 0.00 0.00 32.46 30.21 2d8k n ARG 107 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2d8k s ASN 108 N 11.06 7.06 0.02 6.15 4.22 -1.26 -4.95 114.94 137.24 2d8k s ASN 108 Ca 1.02 -3.03 -0.30 0.00 -2.14 0.00 0.00 52.86 48.41 2d8k s ASN 108 Cb -0.30 -2.31 -0.08 0.00 1.28 0.00 0.00 41.25 39.84 2d8k s ASN 108 CO 0.25 -0.61 1.83 -0.62 -2.04 0.00 0.00 177.10 175.90 2d8k s ASP 109 N 2.35 6.53 -0.02 3.54 2.15 -1.26 -4.86 116.67 125.10 2d8k s ASP 109 Ca 0.34 2.52 -0.30 0.00 0.43 0.00 0.00 52.55 55.54 2d8k s ASP 109 Cb -0.06 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 39.97 2d8k s ASP 109 CO -0.05 -0.99 1.47 -2.16 -0.17 0.00 0.00 175.17 173.26 2d8k s PRO 110 N 4.05 4.25 -0.02 4.34 0.04 -1.26 -4.04 135.00 142.35 2d8k s PRO 110 Ca 0.82 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 63.65 2d8k s PRO 110 Cb -0.40 -3.68 -0.16 0.00 0.04 0.00 0.00 34.50 30.31 2d8k s PRO 110 CO 0.36 -0.66 1.01 0.82 0.04 0.00 0.00 177.00 178.58 2d8k h ILE 111 N 5.11 0.72 -2.29 0.56 2.04 -1.76 -3.41 117.51 118.47 2d8k h ILE 111 Ca -0.37 -0.86 0.12 0.00 1.00 0.00 0.00 64.86 64.74 2d8k h ILE 111 Cb 1.17 1.14 -0.14 0.00 -0.74 0.00 0.00 36.82 38.25 2d8k h ILE 111 CO 0.92 0.16 0.49 -0.83 0.00 0.00 0.00 178.15 178.89 2d8k s GLY 112 N -3.01 -0.44 0.09 5.37 0.00 -1.13 -3.77 107.32 104.44 2d8k s GLY 112 Ca -0.13 0.90 -0.07 0.00 0.00 0.00 0.00 44.72 45.42 2d8k s GLY 112 CO 0.49 0.29 0.15 -1.83 0.00 0.00 0.00 173.10 172.20 2d8k s GLU 113 N -3.14 0.84 0.03 2.90 4.04 -0.76 -0.69 118.70 121.91 2d8k s GLU 113 Ca 0.06 -1.06 0.02 0.00 0.04 0.00 0.00 54.97 54.03 2d8k s GLU 113 Cb -0.01 0.32 -0.02 0.00 0.02 0.00 0.00 34.13 34.44 2d8k s GLU 113 CO -0.08 -0.26 -0.08 0.08 -1.84 0.00 0.00 175.26 173.09 2d8k s VAL 114 N -3.90 0.56 -0.11 1.83 1.01 0.14 -1.85 120.40 118.08 2d8k s VAL 114 Ca 0.08 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.29 2d8k s VAL 114 Cb 0.05 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.89 2d8k s VAL 114 CO -0.09 -0.17 -0.13 -0.94 0.00 0.00 0.00 175.10 173.77 2d8k s SER 115 N -1.03 2.38 -0.11 3.32 1.04 -1.26 -1.77 113.70 116.27 2d8k s SER 115 Ca -0.05 -0.41 -0.05 0.00 0.48 0.00 0.00 55.95 55.93 2d8k s SER 115 Cb -0.07 -1.04 0.06 0.00 0.10 0.00 0.00 66.02 65.07 2d8k s SER 115 CO 0.00 -0.02 0.23 -0.63 0.98 0.00 0.00 173.24 173.81 2d8k s ILE 116 N 1.18 -0.27 0.26 -1.02 1.01 -0.66 -5.01 121.20 116.68 2d8k s ILE 116 Ca -0.03 0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.58 2d8k s ILE 116 Cb -0.14 -0.39 -0.09 0.00 0.01 0.00 0.00 42.46 41.85 2d8k s ILE 116 CO -0.04 0.11 1.26 -2.16 0.00 0.00 0.00 174.94 174.11 2d8k s PRO 117 N 2.03 4.43 0.00 2.79 0.04 -1.26 0.51 135.00 143.54 2d8k s PRO 117 Ca -0.02 2.05 0.23 0.00 0.04 0.00 0.00 61.00 63.30 2d8k s PRO 117 Cb -0.12 -3.16 1.02 0.00 0.04 0.00 0.00 34.50 32.29 2d8k s PRO 117 CO -0.08 -0.14 1.73 1.28 0.04 0.00 0.00 177.00 179.84 2d8k n LEU 118 N 1.76 0.00 0.08 -3.56 4.77 -1.00 -2.77 117.00 116.29 2d8k n LEU 118 Ca 0.03 0.45 -0.02 0.00 -0.03 0.00 0.00 56.01 56.44 2d8k n LEU 118 Cb 0.43 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 2d8k n LEU 118 CO 0.57 -0.10 0.14 -1.13 -1.33 0.00 0.00 177.39 175.54 2d8k h ASN 119 N 0.00 0.00 0.08 -1.43 -1.24 -1.72 -3.35 115.58 107.91 2d8k h ASN 119 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.88 2d8k h ASN 119 Cb 0.35 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.40 2d8k h ASN 119 CO 0.00 0.70 -0.59 0.11 -1.29 0.00 0.00 177.43 176.36 2d8k h LYS 120 N 0.00 0.16 -6.50 6.67 1.79 -1.84 -3.45 116.57 113.40 2d8k h LYS 120 Ca -0.06 -0.28 -0.53 0.00 -2.18 0.00 0.00 60.65 57.60 2d8k h LYS 120 Cb 1.59 0.10 0.02 0.00 -1.58 0.00 0.00 32.23 32.37 2d8k h LYS 120 CO 0.08 1.13 0.85 0.54 -1.08 0.00 0.00 179.45 180.98 2d8k s VAL 121 N -2.35 3.15 -1.01 0.50 0.11 -1.20 -4.86 120.40 114.74 2d8k s VAL 121 Ca -0.17 0.73 -0.26 0.00 -2.93 0.00 0.00 61.98 59.35 2d8k s VAL 121 Cb 0.00 -3.47 -0.19 0.00 -1.53 0.00 0.00 36.38 31.19 2d8k s VAL 121 CO 0.76 0.03 2.18 -1.81 -3.33 0.00 0.00 175.10 172.93 2d8k s ASP 122 N 1.59 3.68 0.44 3.54 1.01 -1.26 -4.69 116.67 120.98 2d8k s ASP 122 Ca 0.68 -0.73 0.30 0.00 0.71 0.00 0.00 52.55 53.51 2d8k s ASP 122 Cb -0.38 -2.58 1.61 0.00 1.01 0.00 0.00 42.92 42.57 2d8k s ASP 122 CO 0.30 -4.39 1.91 -0.07 0.21 0.00 0.00 175.17 173.13 2d8k h LEU 123 N 22.07 0.00 -1.84 1.23 3.38 -1.89 -2.63 115.31 135.63 2d8k h LEU 123 Ca 0.02 0.00 0.35 0.00 0.09 0.00 0.00 57.88 58.34 2d8k h LEU 123 Cb 0.99 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.68 2d8k h LEU 123 CO 1.03 0.00 0.85 0.71 0.09 0.00 0.00 178.44 181.12 2d8k h THR 124 N 0.00 0.39 -3.69 0.22 1.35 -1.84 -3.12 112.91 106.22 2d8k h THR 124 Ca 0.00 -0.03 -0.07 0.00 -0.55 0.00 0.00 66.41 65.76 2d8k h THR 124 Cb 0.02 0.30 -0.11 0.00 -1.73 0.00 0.00 68.15 66.62 2d8k h THR 124 CO 0.00 0.02 -0.18 0.00 -0.25 0.00 0.00 175.52 175.10 2d8k s GLN 125 N -5.07 1.32 0.03 4.72 -2.07 -0.99 -4.95 119.66 112.65 2d8k s GLN 125 Ca -0.06 -1.13 -0.30 0.00 -1.82 0.00 0.00 55.36 52.05 2d8k s GLN 125 Cb 0.24 0.44 -0.06 0.00 -1.09 0.00 0.00 33.01 32.54 2d8k s GLN 125 CO 0.81 -0.52 1.36 1.41 -1.32 0.00 0.00 175.29 177.03 2d8k s MET 126 N -3.96 4.31 -0.04 9.60 -2.45 -1.26 -4.60 119.30 120.90 2d8k s MET 126 Ca 0.17 1.95 0.00 0.00 -1.25 0.00 0.00 55.69 56.57 2d8k s MET 126 Cb 0.01 -3.47 0.02 0.00 1.25 0.00 0.00 34.83 32.65 2d8k s MET 126 CO 0.02 -0.49 -0.02 -0.65 1.05 0.00 0.00 175.02 174.93 2d8k s GLN 127 N 1.92 0.56 0.40 4.11 -1.52 -0.74 -4.98 119.66 119.40 2d8k s GLN 127 Ca 0.63 0.01 -0.17 0.00 -1.95 0.00 0.00 55.36 53.87 2d8k s GLN 127 Cb -0.32 -0.69 -0.09 0.00 -0.22 0.00 0.00 33.01 31.68 2d8k s GLN 127 CO 0.27 -0.13 0.86 0.99 -0.25 0.00 0.00 175.29 177.03 2d8k s THR 128 N 1.11 4.55 0.01 -0.19 2.01 -1.26 -2.11 115.64 119.76 2d8k s THR 128 Ca -0.08 1.17 0.01 0.00 0.31 0.00 0.00 61.69 63.10 2d8k s THR 128 Cb -0.14 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 2d8k s THR 128 CO -0.01 -0.34 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.17 2d8k s PHE 129 N -2.19 0.36 -0.30 4.92 0.40 -1.15 -4.99 117.98 115.03 2d8k s PHE 129 Ca 0.58 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.68 2d8k s PHE 129 Cb -0.10 -0.23 0.09 0.00 0.51 0.00 0.00 43.02 43.30 2d8k s PHE 129 CO 0.19 -0.06 0.04 -1.58 0.70 0.00 0.00 175.22 174.51 2d8k s TRP 130 N -0.64 2.67 0.21 0.36 0.52 -1.26 -3.42 118.94 117.38 2d8k s TRP 130 Ca -0.05 -2.23 0.08 0.00 0.02 0.00 0.00 56.10 53.93 2d8k s TRP 130 Cb -0.05 -2.15 -0.05 0.00 -1.15 0.00 0.00 33.47 30.08 2d8k s TRP 130 CO -0.00 -0.88 -0.16 0.15 0.02 0.00 0.00 176.95 176.08 2d8k s LYS 131 N 1.29 1.36 -0.28 4.98 -0.14 -1.23 -5.02 119.74 120.70 2d8k s LYS 131 Ca 0.06 -1.58 -0.14 0.00 -1.36 0.00 0.00 55.97 52.95 2d8k s LYS 131 Cb -0.18 -1.24 -0.04 0.00 -1.68 0.00 0.00 37.83 34.69 2d8k s LYS 131 CO -0.14 0.22 0.35 0.34 -0.76 0.00 0.00 175.35 175.36 2d8k s ASP 132 N -3.22 6.22 -0.55 2.83 -1.08 -1.26 -1.72 116.67 117.89 2d8k s ASP 132 Ca 0.22 0.19 -0.36 0.00 -0.52 0.00 0.00 52.55 52.08 2d8k s ASP 132 Cb -0.02 -2.20 -0.16 0.00 -1.46 0.00 0.00 42.92 39.08 2d8k s ASP 132 CO 0.08 -0.19 2.31 0.18 0.52 0.00 0.00 175.17 178.07 2d8k n LEU 133 N 5.31 1.29 -4.67 -1.34 4.77 0.28 -4.87 117.00 117.78 2d8k n LEU 133 Ca -0.09 0.37 -0.32 0.00 -0.03 0.00 0.00 56.01 55.93 2d8k n LEU 133 Cb 0.51 -1.10 0.15 0.00 -2.33 0.00 0.00 43.42 40.65 2d8k n LEU 133 CO 0.37 -0.82 0.68 0.29 -1.33 0.00 0.00 177.39 176.58 2d8k n LYS 134 N 8.11 -0.22 -2.05 3.23 4.76 -0.77 -4.49 118.16 126.74 2d8k n LYS 134 Ca 0.51 0.01 -0.32 0.00 -2.87 0.00 0.00 58.31 55.64 2d8k n LYS 134 Cb 0.13 -2.38 -0.04 0.00 -1.84 0.00 0.00 35.03 30.89 2d8k n LYS 134 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2d8k s PRO 135 N -4.40 2.59 0.12 1.97 0.04 -1.26 -1.83 135.00 132.23 2d8k s PRO 135 Ca 0.69 0.10 -0.31 0.00 0.04 0.00 0.00 61.00 61.52 2d8k s PRO 135 Cb -0.25 -4.77 -0.09 0.00 0.04 0.00 0.00 34.50 29.43 2d8k s PRO 135 CO 0.56 -3.10 1.56 -1.12 0.04 0.00 0.00 177.00 174.94 2d8k s SER 136 N 8.05 6.64 0.00 6.66 0.01 -1.25 -4.89 113.70 128.93 2d8k s SER 136 Ca 0.69 2.51 0.00 0.00 1.31 0.00 0.00 55.95 60.45 2d8k s SER 136 Cb -0.09 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2d8k s SER 136 CO 0.08 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.54 2d8k n GLY 137 N 3.78 -2.02 3.77 3.44 0.00 -1.26 -4.85 105.19 108.05 2d8k n GLY 137 Ca 0.14 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.43 2d8k n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8k s PRO 138 N -1.89 2.85 0.04 1.61 0.04 -1.26 -5.07 135.00 131.33 2d8k s PRO 138 Ca 0.00 1.41 0.02 0.00 0.04 0.00 0.00 61.00 62.47 2d8k s PRO 138 Cb 0.00 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 2d8k s PRO 138 CO 0.00 -1.21 -0.07 -1.12 0.04 0.00 0.00 177.00 174.63 2d8k s SER 139 N -2.51 0.79 -0.76 6.66 0.01 -1.26 -5.09 113.70 111.54 2d8k s SER 139 Ca 0.67 -0.56 -0.26 0.00 1.31 0.00 0.00 55.95 57.11 2d8k s SER 139 Cb -0.21 0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 2d8k s SER 139 CO 0.40 -0.23 1.82 -0.55 0.41 0.00 0.00 173.24 175.09 2d8k s SER 140 N -1.63 5.37 0.00 2.44 0.15 -1.26 -5.35 113.70 113.43 2d8k s SER 140 Ca -0.10 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.32 2d8k s SER 140 Cb -0.09 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 2d8k s SER 140 CO -0.00 -2.42 0.00 0.61 1.20 0.00 0.00 173.24 172.63