#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8k s SER 2 N 0.00 -0.31 -0.11 1.61 0.01 -1.26 -5.15 113.70 108.49 2d8k s SER 2 Ca 0.00 0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.85 2d8k s SER 2 Cb 0.00 0.54 0.02 0.00 0.21 0.00 0.00 66.02 66.79 2d8k s SER 2 CO 0.00 -0.13 -0.10 -0.94 0.41 0.00 0.00 173.24 172.47 2d8k s SER 3 N 0.70 2.23 0.29 2.44 1.04 -1.26 -5.14 113.70 114.01 2d8k s SER 3 Ca -0.04 -0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.09 2d8k s SER 3 Cb -0.06 -0.93 -0.06 0.00 0.10 0.00 0.00 66.02 65.07 2d8k s SER 3 CO -0.04 -0.07 -0.01 -0.83 0.98 0.00 0.00 173.24 173.27 2d8k s GLY 4 N 1.41 1.90 -0.37 7.32 0.00 -1.26 -5.04 107.32 111.28 2d8k s GLY 4 Ca 0.00 -1.96 -0.02 0.00 0.00 0.00 0.00 44.72 42.75 2d8k s GLY 4 CO -0.06 -1.82 0.14 -0.45 0.00 0.00 0.00 173.10 170.91 2d8k s SER 5 N -3.45 5.13 -0.75 1.64 0.15 -1.26 -4.93 113.70 110.22 2d8k s SER 5 Ca 0.32 -1.84 -0.26 0.00 0.70 0.00 0.00 55.95 54.87 2d8k s SER 5 Cb 0.06 -1.78 0.04 0.00 -1.71 0.00 0.00 66.02 62.62 2d8k s SER 5 CO 0.13 -0.46 1.25 -0.44 1.20 0.00 0.00 173.24 174.93 2d8k s SER 6 N 1.59 6.19 -0.39 5.45 0.01 -1.26 -4.89 113.70 120.40 2d8k s SER 6 Ca 0.05 -0.60 0.06 0.00 1.31 0.00 0.00 55.95 56.77 2d8k s SER 6 Cb -0.22 -2.54 0.17 0.00 0.21 0.00 0.00 66.02 63.64 2d8k s SER 6 CO -0.04 -1.76 0.52 -0.83 0.41 0.00 0.00 173.24 171.55 2d8k s GLY 7 N 3.82 -0.76 0.02 3.44 0.00 -1.26 -5.05 107.32 107.53 2d8k s GLY 7 Ca 0.34 -0.25 -0.14 0.00 0.00 0.00 0.00 44.72 44.67 2d8k s GLY 7 CO 0.12 3.29 1.06 0.23 0.00 0.00 0.00 173.10 177.80 2d8k h SER 8 N 7.05 -0.43 -4.89 1.64 0.87 -2.03 -3.47 113.55 112.29 2d8k h SER 8 Ca 0.05 0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.49 2d8k h SER 8 Cb 1.13 0.11 -0.21 0.00 -0.44 0.00 0.00 62.40 62.99 2d8k h SER 8 CO 0.14 -0.27 -0.40 0.00 -0.53 0.00 0.00 176.83 175.77 2d8k s ARG 9 N -3.84 0.55 0.03 2.24 3.03 -1.26 -5.14 118.95 114.55 2d8k s ARG 9 Ca -0.07 -0.26 -0.28 0.00 2.03 0.00 0.00 55.73 57.15 2d8k s ARG 9 Cb 0.01 0.24 0.07 0.00 -1.03 0.00 0.00 34.95 34.24 2d8k s ARG 9 CO 0.22 -0.14 0.66 -1.21 -1.13 0.00 0.00 175.30 173.71 2d8k s GLU 10 N -1.25 1.13 -0.53 3.89 2.02 -1.26 -5.05 118.70 117.65 2d8k s GLU 10 Ca -0.13 -0.04 -0.02 0.00 0.02 0.00 0.00 54.97 54.80 2d8k s GLU 10 Cb -0.06 0.53 0.29 0.00 0.10 0.00 0.00 34.13 34.99 2d8k s GLU 10 CO 0.03 -0.41 2.14 0.09 0.02 0.00 0.00 175.26 177.12 2d8k n ASN 11 N 0.38 7.06 -0.20 -0.19 3.02 -1.26 -4.65 115.26 119.42 2d8k n ASN 11 Ca -0.18 -3.44 0.30 0.00 -0.03 0.00 0.00 54.58 51.23 2d8k n ASN 11 Cb 0.60 -1.06 0.72 0.00 -0.61 0.00 0.00 39.78 39.44 2d8k n ASN 11 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2d8k h LEU 12 N 2.60 0.00 0.00 3.41 3.38 -1.87 -3.38 115.31 119.45 2d8k h LEU 12 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 2d8k h LEU 12 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2d8k h LEU 12 CO 1.17 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.31 2d8k n GLY 13 N -1.70 -1.23 3.18 0.83 0.00 -0.75 -4.09 105.19 101.43 2d8k n GLY 13 Ca 0.20 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 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 1.03 -0.03 1.61 1.70 -0.75 -1.85 118.95 120.67 2d8k s ARG 14 Ca 0.00 -1.51 0.01 0.00 -0.47 0.00 0.00 55.73 53.76 2d8k s ARG 14 Cb 0.00 0.15 0.01 0.00 -0.57 0.00 0.00 34.95 34.54 2d8k s ARG 14 CO 0.00 -0.27 -0.04 -1.50 -1.08 0.00 0.00 175.30 172.41 2d8k s ILE 15 N -4.00 0.42 -0.25 4.99 2.07 -0.83 -2.57 121.20 121.03 2d8k s ILE 15 Ca 0.28 -0.11 -0.05 0.00 -1.41 0.00 0.00 60.65 59.35 2d8k s ILE 15 Cb 0.07 -0.44 -0.00 0.00 0.13 0.00 0.00 42.46 42.22 2d8k s ILE 15 CO 0.05 0.17 0.02 -1.58 -1.91 0.00 0.00 174.94 171.70 2d8k s GLN 16 N 0.60 3.30 0.02 3.50 0.74 -1.11 -3.60 119.66 123.11 2d8k s GLN 16 Ca -0.07 -0.70 0.01 0.00 0.05 0.00 0.00 55.36 54.65 2d8k s GLN 16 Cb -0.11 -3.20 -0.01 0.00 1.10 0.00 0.00 33.01 30.79 2d8k s GLN 16 CO -0.00 -0.29 -0.03 -0.59 -0.55 0.00 0.00 175.29 173.82 2d8k s PHE 17 N 1.51 0.30 -0.05 1.67 -0.71 -1.21 -0.91 117.98 118.58 2d8k s PHE 17 Ca 0.04 -0.31 -0.09 0.00 -1.04 0.00 0.00 56.93 55.53 2d8k s PHE 17 Cb -0.16 -0.20 -0.05 0.00 -1.21 0.00 0.00 43.02 41.41 2d8k s PHE 17 CO 0.00 -0.09 0.25 -1.54 -1.34 0.00 0.00 175.22 172.51 2d8k s SER 18 N -0.88 6.54 -0.08 1.98 1.04 0.87 -2.51 113.70 120.66 2d8k s SER 18 Ca -0.08 0.63 0.04 0.00 0.48 0.00 0.00 55.95 57.02 2d8k s SER 18 Cb -0.06 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 63.94 2d8k s SER 18 CO -0.00 0.34 -0.19 -0.69 0.98 0.00 0.00 173.24 173.67 2d8k s VAL 19 N -1.13 1.69 -0.30 5.02 1.01 -1.04 -2.48 120.40 123.17 2d8k s VAL 19 Ca 0.21 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 61.24 2d8k s VAL 19 Cb -0.14 -1.48 0.16 0.00 0.00 0.00 0.00 36.38 34.92 2d8k s VAL 19 CO 0.10 0.48 0.95 -0.83 0.00 0.00 0.00 175.10 175.80 2d8k s GLY 20 N 0.40 -0.22 -0.16 4.51 0.00 -1.04 -1.62 107.32 109.19 2d8k s GLY 20 Ca -0.16 2.98 -0.04 0.00 0.00 0.00 0.00 44.72 47.51 2d8k s GLY 20 CO 0.06 3.08 -0.03 -0.47 0.00 0.00 0.00 173.10 175.75 2d8k s TYR 21 N 2.27 3.03 0.19 1.90 6.14 -1.15 -0.27 117.35 129.46 2d8k s TYR 21 Ca -0.04 -0.34 -0.26 0.00 0.64 0.00 0.00 57.07 57.08 2d8k s TYR 21 Cb -0.06 -1.98 -0.08 0.00 0.42 0.00 0.00 41.96 40.25 2d8k s TYR 21 CO -0.17 -0.08 0.81 -0.80 0.64 0.00 0.00 175.55 175.95 2d8k s ASN 22 N 0.48 7.40 -0.11 4.32 -0.87 0.82 -4.60 114.94 122.39 2d8k s ASN 22 Ca -0.03 1.68 -0.03 0.00 -1.57 0.00 0.00 52.86 52.92 2d8k s ASN 22 Cb -0.14 -2.51 -0.02 0.00 -0.02 0.00 0.00 41.25 38.56 2d8k s ASN 22 CO 0.03 0.17 0.00 -0.26 -2.57 0.00 0.00 177.10 174.47 2d8k h PHE 23 N 4.15 0.00 -0.20 2.20 -1.00 -1.95 -1.68 116.94 118.47 2d8k h PHE 23 Ca -0.47 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.36 2d8k h PHE 23 Cb 1.20 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.71 2d8k h PHE 23 CO 0.63 0.05 -0.14 1.96 -1.61 0.00 0.00 178.31 179.21 2d8k h GLN 24 N -1.00 -0.13 0.00 1.51 4.20 -1.98 0.00 115.11 117.71 2d8k h GLN 24 Ca -0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2d8k h GLN 24 Cb 0.14 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2d8k h GLN 24 CO -0.00 -0.09 0.00 0.39 -0.67 0.00 0.00 178.83 178.46 2d8k n GLU 25 N -5.29 0.08 -4.20 1.46 4.71 -1.26 -4.91 120.64 111.23 2d8k n GLU 25 Ca -0.02 0.15 -0.32 0.00 -0.01 0.00 0.00 57.16 56.97 2d8k n GLU 25 Cb 0.21 -1.61 -0.05 0.00 -1.01 0.00 0.00 31.44 28.98 2d8k n GLU 25 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2d8k n SER 26 N -1.76 -0.81 -4.13 1.62 7.64 -0.01 -4.94 113.62 111.23 2d8k n SER 26 Ca 0.05 -1.12 -0.15 0.00 1.01 0.00 0.00 58.87 58.66 2d8k n SER 26 Cb 0.31 -2.37 -0.11 0.00 -1.01 0.00 0.00 64.21 61.03 2d8k n SER 26 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2d8k s THR 27 N -3.85 0.83 -0.02 0.44 2.01 -1.04 -4.44 115.64 109.58 2d8k s THR 27 Ca 0.28 -1.32 -0.10 0.00 0.31 0.00 0.00 61.69 60.86 2d8k s THR 27 Cb -0.15 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 2d8k s THR 27 CO 0.95 -0.39 0.31 -0.22 -0.69 0.00 0.00 174.62 174.58 2d8k s LEU 28 N -1.89 4.41 -0.25 4.42 2.96 -1.19 -0.13 118.68 127.02 2d8k s LEU 28 Ca -0.03 0.73 0.03 0.00 -0.22 0.00 0.00 54.13 54.64 2d8k s LEU 28 Cb -0.08 -2.54 0.06 0.00 0.50 0.00 0.00 46.19 44.13 2d8k s LEU 28 CO 0.01 0.31 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.34 2d8k s THR 29 N -1.16 2.16 -0.32 3.68 2.01 0.63 -2.42 115.64 120.22 2d8k s THR 29 Ca 0.24 -1.59 -0.01 0.00 0.31 0.00 0.00 61.69 60.64 2d8k s THR 29 Cb -0.14 -2.25 0.07 0.00 0.01 0.00 0.00 72.50 70.18 2d8k s THR 29 CO 0.12 0.01 0.03 -0.69 -0.69 0.00 0.00 174.62 173.41 2d8k s VAL 30 N 1.11 2.88 -0.25 3.82 1.01 -1.18 -2.49 120.40 125.30 2d8k s VAL 30 Ca -0.08 -1.65 -0.07 0.00 0.00 0.00 0.00 61.98 60.18 2d8k s VAL 30 Cb -0.19 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 2d8k s VAL 30 CO -0.06 -0.27 0.05 -0.75 0.00 0.00 0.00 175.10 174.07 2d8k s LYS 31 N 1.17 3.55 -0.75 2.72 2.20 -1.03 -2.33 119.74 125.27 2d8k s LYS 31 Ca -0.01 -0.54 -0.19 0.00 -0.36 0.00 0.00 55.97 54.87 2d8k s LYS 31 Cb -0.20 -3.26 0.12 0.00 -1.51 0.00 0.00 37.83 32.98 2d8k s LYS 31 CO -0.03 -0.21 0.90 0.42 -0.36 0.00 0.00 175.35 176.07 2d8k s ILE 32 N 1.58 4.79 0.00 5.43 -1.09 -1.15 -0.09 121.20 130.66 2d8k s ILE 32 Ca 0.06 -1.25 0.00 0.00 -2.23 0.00 0.00 60.65 57.23 2d8k s ILE 32 Cb -0.15 -4.62 0.00 0.00 -1.58 0.00 0.00 42.46 36.11 2d8k s ILE 32 CO 0.02 -1.31 0.74 0.23 -1.23 0.00 0.00 174.94 173.39 2d8k n MET 33 N 6.38 0.00 -3.79 2.79 2.81 -0.09 0.30 117.12 125.52 2d8k n MET 33 Ca 0.06 0.59 0.02 0.00 -1.81 0.00 0.00 57.70 56.55 2d8k n MET 33 Cb 0.46 -1.24 0.00 0.00 -0.71 0.00 0.00 33.22 31.74 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 -1.94 0.47 0.34 0.03 0.00 -1.21 -1.33 119.74 116.10 2d8k s LYS 34 Ca 0.00 -0.28 0.08 0.00 0.00 0.00 0.00 55.97 55.76 2d8k s LYS 34 Cb 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 37.83 37.95 2d8k s LYS 34 CO 0.00 -0.22 0.29 0.00 0.00 0.00 0.00 175.35 175.42 2d8k s ALA 35 N -2.26 3.83 0.05 0.59 0.00 -1.08 -2.77 121.76 120.13 2d8k s ALA 35 Ca 0.21 -1.68 -0.24 0.00 0.00 0.00 0.00 51.96 50.25 2d8k s ALA 35 Cb 0.02 -1.13 0.06 0.00 0.00 0.00 0.00 23.12 22.07 2d8k s ALA 35 CO -0.02 -0.01 0.56 -0.65 0.00 0.00 0.00 175.76 175.64 2d8k s GLN 36 N -3.99 1.08 -1.36 0.00 -0.21 -1.06 -4.42 119.66 109.69 2d8k s GLN 36 Ca 0.41 -0.20 -0.03 0.00 0.02 0.00 0.00 55.36 55.56 2d8k s GLN 36 Cb -0.05 0.50 0.02 0.00 1.00 0.00 0.00 33.01 34.47 2d8k s GLN 36 CO 0.26 -0.40 0.75 0.39 -2.12 0.00 0.00 175.29 174.18 2d8k n GLU 37 N 0.36 -4.99 -3.26 2.91 -0.58 -1.26 -1.80 120.64 112.01 2d8k n GLU 37 Ca -0.18 0.60 -0.40 0.00 -0.42 0.00 0.00 57.16 56.77 2d8k n GLU 37 Cb 0.61 -5.22 -0.08 0.00 -0.57 0.00 0.00 31.44 26.18 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 -6.84 4.07 0.78 -4.62 1.43 -1.26 -1.82 118.68 110.43 2d8k s LEU 38 Ca 0.16 0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 53.68 2d8k s LEU 38 Cb -0.08 -2.64 0.06 0.00 0.03 0.00 0.00 46.19 43.57 2d8k s LEU 38 CO 0.82 -0.24 1.09 -2.16 0.23 0.00 0.00 176.35 176.09 2d8k s PRO 39 N 2.09 2.18 -0.80 1.29 0.04 -1.26 -4.87 135.00 133.67 2d8k s PRO 39 Ca 0.21 1.14 -0.15 0.00 0.04 0.00 0.00 61.00 62.24 2d8k s PRO 39 Cb -0.16 -1.89 0.20 0.00 0.04 0.00 0.00 34.50 32.69 2d8k s PRO 39 CO 0.09 -1.69 0.77 0.00 0.04 0.00 0.00 177.00 176.21 2d8k s ALA 40 N -2.91 3.95 0.00 8.56 0.00 -1.26 -4.84 121.76 125.26 2d8k s ALA 40 Ca 0.61 -3.15 0.00 0.00 0.00 0.00 0.00 51.96 49.42 2d8k s ALA 40 Cb -0.17 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2d8k s ALA 40 CO 0.56 -2.31 0.95 1.63 0.00 0.00 0.00 175.76 176.59 2d8k n LYS 41 N 4.42 0.00 -1.24 0.00 4.76 -1.26 -4.63 118.16 120.21 2d8k n LYS 41 Ca 0.11 0.70 -0.32 0.00 -2.87 0.00 0.00 58.31 55.93 2d8k n LYS 41 Cb 0.46 -1.45 0.10 0.00 -1.84 0.00 0.00 35.03 32.30 2d8k n LYS 41 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2d8k s ASP 42 N -2.50 4.25 -0.86 4.39 2.15 -1.26 -4.80 116.67 118.05 2d8k s ASP 42 Ca 0.00 1.97 -0.28 0.00 0.43 0.00 0.00 52.55 54.68 2d8k s ASP 42 Cb 0.00 -2.54 -0.27 0.00 -0.30 0.00 0.00 42.92 39.81 2d8k s ASP 42 CO 0.00 -2.21 2.00 0.33 -0.17 0.00 0.00 175.17 175.13 2d8k n PHE 43 N -3.42 0.72 -3.18 -5.34 7.35 -1.26 -4.63 117.46 107.70 2d8k n PHE 43 Ca 0.10 -0.25 0.05 0.00 -0.76 0.00 0.00 57.45 56.59 2d8k n PHE 43 Cb 0.52 -2.22 -0.02 0.00 0.35 0.00 0.00 39.48 38.11 2d8k n PHE 43 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2d8k s SER 44 N 8.22 -0.33 0.51 -2.13 0.01 -1.26 -5.00 113.70 113.72 2d8k s SER 44 Ca 0.79 0.26 0.32 0.00 1.31 0.00 0.00 55.95 58.64 2d8k s SER 44 Cb -0.01 1.30 1.11 0.00 0.21 0.00 0.00 66.02 68.63 2d8k s SER 44 CO 0.22 -0.06 1.24 0.61 0.41 0.00 0.00 173.24 175.66 2d8k n GLY 45 N 5.29 -0.75 3.64 3.44 0.00 -1.26 -4.25 105.19 111.29 2d8k n GLY 45 Ca -0.08 0.44 -0.26 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.35 3.52 0.24 2.61 -1.32 -1.26 -4.54 115.64 110.53 2d8k s THR 46 Ca -0.03 -1.62 -0.10 0.00 -1.21 0.00 0.00 61.69 58.73 2d8k s THR 46 Cb 0.17 -2.80 -0.01 0.00 -1.51 0.00 0.00 72.50 68.35 2d8k s THR 46 CO 0.57 -0.19 0.40 -0.44 -2.21 0.00 0.00 174.62 172.75 2d8k s SER 47 N -3.13 -0.04 -0.95 8.08 0.01 -1.26 -4.90 113.70 111.51 2d8k s SER 47 Ca 0.28 -1.03 -0.03 0.00 1.31 0.00 0.00 55.95 56.48 2d8k s SER 47 Cb -0.08 0.54 0.25 0.00 0.21 0.00 0.00 66.02 66.94 2d8k s SER 47 CO 0.18 -1.07 0.97 -0.90 0.41 0.00 0.00 173.24 172.83 2d8k n ASP 48 N -0.35 4.81 -4.70 2.44 5.75 -1.26 -1.78 116.55 121.45 2d8k n ASP 48 Ca -0.01 -3.19 -0.29 0.00 -0.01 0.00 0.00 54.79 51.29 2d8k n ASP 48 Cb 0.63 -1.12 0.15 0.00 -1.03 0.00 0.00 41.12 39.75 2d8k n ASP 48 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2d8k s PRO 49 N -1.70 1.00 -0.22 0.11 0.04 -1.25 -1.84 135.00 131.14 2d8k s PRO 49 Ca 0.30 0.73 -0.27 0.00 0.04 0.00 0.00 61.00 61.80 2d8k s PRO 49 Cb -0.04 -1.79 0.11 0.00 0.04 0.00 0.00 34.50 32.82 2d8k s PRO 49 CO -0.07 -2.40 0.92 -0.59 0.04 0.00 0.00 177.00 174.90 2d8k s PHE 50 N -2.94 -0.53 0.30 0.56 -0.12 0.24 -3.57 117.98 111.92 2d8k s PHE 50 Ca 0.64 1.17 -0.14 0.00 -0.05 0.00 0.00 56.93 58.55 2d8k s PHE 50 Cb -0.18 0.37 -0.09 0.00 -0.63 0.00 0.00 43.02 42.50 2d8k s PHE 50 CO 0.57 -0.34 0.69 0.08 -0.05 0.00 0.00 175.22 176.18 2d8k s VAL 51 N -0.27 4.74 -0.11 -2.49 1.01 -1.26 -1.14 120.40 120.88 2d8k s VAL 51 Ca -0.01 0.83 -0.00 0.00 0.00 0.00 0.00 61.98 62.80 2d8k s VAL 51 Cb -0.03 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.76 2d8k s VAL 51 CO -0.01 -0.17 -0.07 -0.75 0.00 0.00 0.00 175.10 174.10 2d8k s LYS 52 N -2.96 1.50 -0.11 2.72 2.20 0.17 -1.86 119.74 121.39 2d8k s LYS 52 Ca 0.53 -0.25 -0.12 0.00 -0.36 0.00 0.00 55.97 55.77 2d8k s LYS 52 Cb -0.10 -1.58 -0.05 0.00 -1.51 0.00 0.00 37.83 34.59 2d8k s LYS 52 CO 0.19 -0.27 0.27 0.42 -0.36 0.00 0.00 175.35 175.60 2d8k s ILE 53 N 1.72 5.29 -0.17 5.43 1.01 0.23 -1.45 121.20 133.25 2d8k s ILE 53 Ca 0.05 0.51 -0.07 0.00 0.00 0.00 0.00 60.65 61.14 2d8k s ILE 53 Cb -0.13 -3.58 0.07 0.00 0.01 0.00 0.00 42.46 38.84 2d8k s ILE 53 CO -0.08 0.51 0.39 -0.31 0.00 0.00 0.00 174.94 175.45 2d8k s TYR 54 N -0.39 -0.65 -1.10 3.97 1.51 -0.51 -1.73 117.35 118.45 2d8k s TYR 54 Ca 0.18 1.33 -0.13 0.00 -1.01 0.00 0.00 57.07 57.43 2d8k s TYR 54 Cb -0.14 0.23 0.21 0.00 -0.11 0.00 0.00 41.96 42.15 2d8k s TYR 54 CO 0.06 -0.40 1.21 -0.51 -1.11 0.00 0.00 175.55 174.81 2d8k s LEU 55 N 2.04 5.66 0.58 -1.29 1.43 -1.25 -1.27 118.68 124.58 2d8k s LEU 55 Ca -0.05 -3.03 -0.17 0.00 -1.03 0.00 0.00 54.13 49.86 2d8k s LEU 55 Cb -0.10 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 2d8k s LEU 55 CO -0.12 -0.62 1.07 -0.76 0.23 0.00 0.00 176.35 176.15 2d8k s LEU 56 N 0.65 3.58 -0.02 1.79 1.43 -1.03 -3.15 118.68 121.93 2d8k s LEU 56 Ca 0.35 1.91 -0.24 0.00 -1.03 0.00 0.00 54.13 55.11 2d8k s LEU 56 Cb -0.06 -4.55 -0.18 0.00 0.03 0.00 0.00 46.19 41.43 2d8k s LEU 56 CO -0.05 -1.17 1.15 1.55 0.23 0.00 0.00 176.35 178.06 2d8k h PRO 57 N 0.68 -0.18 -4.26 1.29 0.13 -1.88 -0.70 132.00 127.07 2d8k h PRO 57 Ca -0.48 0.01 -0.32 0.00 -0.87 0.00 0.00 66.00 64.34 2d8k h PRO 57 Cb 1.23 0.04 -0.10 0.00 0.13 0.00 0.00 31.00 32.30 2d8k h PRO 57 CO 0.57 0.24 1.71 -3.47 -0.23 0.00 0.00 178.00 176.82 2d8k n ASP 58 N -4.96 -1.07 -0.50 1.44 2.03 -1.19 -4.65 116.55 107.65 2d8k n ASP 58 Ca -0.09 -0.39 0.01 0.00 0.52 0.00 0.00 54.79 54.85 2d8k n ASP 58 Cb 0.26 -0.49 0.05 0.00 -0.72 0.00 0.00 41.12 40.21 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 5.01 1.39 0.00 -0.67 5.02 -1.26 -4.21 118.16 123.45 2d8k n LYS 59 Ca 0.58 -0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 2d8k n LYS 59 Cb 0.11 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 2d8k n LYS 59 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2d8k n LYS 60 N -0.03 0.00 -2.36 1.97 0.00 -1.26 -4.47 118.16 112.01 2d8k n LYS 60 Ca 0.03 0.49 -0.36 0.00 0.00 0.00 0.00 58.31 58.48 2d8k n LYS 60 Cb 0.27 -1.17 -0.04 0.00 0.00 0.00 0.00 35.03 34.08 2d8k n LYS 60 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 2d8k s HIS 61 N -1.71 2.23 0.13 5.64 2.46 -1.26 -4.94 115.29 117.84 2d8k s HIS 61 Ca 0.00 -0.22 0.07 0.00 0.47 0.00 0.00 55.06 55.38 2d8k s HIS 61 Cb 0.00 -4.44 -0.04 0.00 -0.13 0.00 0.00 32.58 27.97 2d8k s HIS 61 CO 0.00 -1.89 -0.16 -1.59 -2.47 0.00 0.00 174.74 168.63 2d8k s LYS 62 N 5.82 1.12 0.28 2.88 0.00 -1.26 -3.97 119.74 124.61 2d8k s LYS 62 Ca 0.55 -1.28 0.02 0.00 0.00 0.00 0.00 55.97 55.25 2d8k s LYS 62 Cb -0.03 -1.11 -0.04 0.00 0.00 0.00 0.00 37.83 36.65 2d8k s LYS 62 CO -0.04 0.22 0.13 -0.51 0.00 0.00 0.00 175.35 175.15 2d8k s LEU 63 N -2.45 1.63 0.05 2.77 1.02 -0.71 -5.00 118.68 115.98 2d8k s LEU 63 Ca 0.11 -1.47 -0.14 0.00 0.02 0.00 0.00 54.13 52.66 2d8k s LEU 63 Cb -0.06 0.12 0.02 0.00 0.02 0.00 0.00 46.19 46.29 2d8k s LEU 63 CO 0.04 -0.81 0.30 -1.61 0.02 0.00 0.00 176.35 174.30 2d8k s GLU 64 N -3.94 0.83 0.51 1.70 8.01 -1.26 0.74 118.70 125.28 2d8k s GLU 64 Ca 0.37 -0.55 0.04 0.00 0.01 0.00 0.00 54.97 54.84 2d8k s GLU 64 Cb 0.06 0.36 0.03 0.00 -4.31 0.00 0.00 34.13 30.27 2d8k s GLU 64 CO 0.15 -0.27 0.71 0.95 0.01 0.00 0.00 175.26 176.81 2d8k s THR 65 N -2.71 2.74 0.97 3.63 -4.23 -0.78 -4.94 115.64 110.33 2d8k s THR 65 Ca -0.04 -0.81 -0.12 0.00 -1.18 0.00 0.00 61.69 59.54 2d8k s THR 65 Cb -0.00 -2.93 0.17 0.00 1.34 0.00 0.00 72.50 71.08 2d8k s THR 65 CO -0.04 0.00 1.08 -0.54 -0.54 0.00 0.00 174.62 174.58 2d8k s LYS 66 N -4.61 0.64 -0.24 3.99 -0.14 -1.26 -4.56 119.74 113.55 2d8k s LYS 66 Ca 0.57 0.85 0.02 0.00 -1.36 0.00 0.00 55.97 56.06 2d8k s LYS 66 Cb -0.10 -1.74 0.06 0.00 -1.68 0.00 0.00 37.83 34.37 2d8k s LYS 66 CO 0.37 -2.67 -0.10 0.54 -0.76 0.00 0.00 175.35 172.72 2d8k s VAL 67 N -2.81 1.97 -0.19 3.17 0.11 -1.26 -4.44 120.40 116.95 2d8k s VAL 67 Ca 0.65 -1.43 -0.24 0.00 -2.93 0.00 0.00 61.98 58.02 2d8k s VAL 67 Cb -0.20 -2.09 -0.02 0.00 -1.53 0.00 0.00 36.38 32.55 2d8k s VAL 67 CO 0.59 0.02 0.79 -0.54 -3.33 0.00 0.00 175.10 172.62 2d8k s LYS 68 N 1.21 4.26 0.59 1.54 -0.14 -1.23 -4.97 119.74 120.99 2d8k s LYS 68 Ca -0.07 0.91 -0.15 0.00 -1.36 0.00 0.00 55.97 55.31 2d8k s LYS 68 Cb -0.19 -3.59 -0.04 0.00 -1.68 0.00 0.00 37.83 32.33 2d8k s LYS 68 CO -0.06 -0.34 1.03 1.03 -0.76 0.00 0.00 175.35 176.25 2d8k s ARG 69 N 2.22 3.49 -1.36 1.68 1.81 -1.26 -3.94 118.95 121.59 2d8k s ARG 69 Ca 0.36 1.03 -0.14 0.00 -1.72 0.00 0.00 55.73 55.25 2d8k s ARG 69 Cb -0.16 -2.06 0.01 0.00 -0.45 0.00 0.00 34.95 32.29 2d8k s ARG 69 CO 0.11 -0.66 0.40 1.63 -0.68 0.00 0.00 175.30 176.10 2d8k n LYS 70 N -2.17 -1.20 -3.16 3.54 4.01 -1.24 -4.91 118.16 113.02 2d8k n LYS 70 Ca 0.07 0.19 0.04 0.00 -0.51 0.00 0.00 58.31 58.10 2d8k n LYS 70 Cb 0.53 -3.48 -0.01 0.00 -0.51 0.00 0.00 35.03 31.56 2d8k n LYS 70 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 2d8k s ASN 71 N -4.00 -1.21 0.05 4.39 3.84 -0.73 -4.88 114.94 112.41 2d8k s ASN 71 Ca 0.22 0.79 0.15 0.00 0.21 0.00 0.00 52.86 54.22 2d8k s ASN 71 Cb -0.11 2.02 -0.15 0.00 -0.55 0.00 0.00 41.25 42.46 2d8k s ASN 71 CO 0.95 -0.23 0.87 -0.07 -2.79 0.00 0.00 177.10 175.83 2d8k h LEU 72 N 8.00 0.00 -4.49 3.21 3.38 -1.90 -3.37 115.31 120.14 2d8k h LEU 72 Ca -0.21 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.15 2d8k h LEU 72 Cb 1.16 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.51 2d8k h LEU 72 CO 0.19 0.73 -0.53 0.59 0.09 0.00 0.00 178.44 179.50 2d8k n ASN 73 N -3.00 5.06 -4.77 -0.43 3.02 -1.26 -4.21 115.26 109.66 2d8k n ASN 73 Ca -0.10 -3.74 -0.31 0.00 -0.03 0.00 0.00 54.58 50.40 2d8k n ASN 73 Cb 0.90 -0.52 0.09 0.00 -0.61 0.00 0.00 39.78 39.64 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 -3.60 2.31 -0.21 3.52 0.04 -1.26 -4.77 135.00 131.03 2d8k s PRO 74 Ca 0.49 1.19 -0.00 0.00 0.04 0.00 0.00 61.00 62.72 2d8k s PRO 74 Cb 0.41 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 33.06 2d8k s PRO 74 CO -0.19 -1.60 -0.13 -3.38 0.04 0.00 0.00 177.00 171.73 2d8k s HIS 75 N -2.84 2.91 -0.19 0.56 -3.43 -1.26 -2.62 115.29 108.41 2d8k s HIS 75 Ca 0.62 -1.53 -0.17 0.00 -0.80 0.00 0.00 55.06 53.18 2d8k s HIS 75 Cb -0.17 -1.99 -0.13 0.00 -1.43 0.00 0.00 32.58 28.86 2d8k s HIS 75 CO 0.54 -0.74 0.02 0.91 -2.00 0.00 0.00 174.74 173.47 2d8k n TRP 76 N 4.65 0.87 -4.10 0.38 8.01 -1.10 -4.97 117.44 121.18 2d8k n TRP 76 Ca -0.19 0.38 -0.34 0.00 -1.31 0.00 0.00 57.50 56.03 2d8k n TRP 76 Cb 0.49 -0.97 -0.02 0.00 -2.01 0.00 0.00 31.31 28.81 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 -4.48 -3.60 -4.92 -0.99 4.13 0.15 -4.93 115.26 100.62 2d8k n ASN 77 Ca -0.25 -0.91 -0.27 0.00 1.68 0.00 0.00 54.58 54.83 2d8k n ASN 77 Cb 0.56 -2.94 0.04 0.00 -1.54 0.00 0.00 39.78 35.90 2d8k n ASN 77 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2d8k s GLU 78 N -6.80 2.83 -0.19 3.52 0.41 -1.23 -4.87 118.70 112.38 2d8k s GLU 78 Ca 0.71 -0.01 -0.02 0.00 -0.41 0.00 0.00 54.97 55.24 2d8k s GLU 78 Cb -0.38 -2.25 0.05 0.00 -1.78 0.00 0.00 34.13 29.77 2d8k s GLU 78 CO 0.87 -0.78 -0.00 0.99 -0.49 0.00 0.00 175.26 175.85 2d8k s THR 79 N -3.04 0.82 0.27 3.63 2.01 -1.26 -2.96 115.64 115.12 2d8k s THR 79 Ca 0.55 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 61.96 2d8k s THR 79 Cb -0.11 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.19 2d8k s THR 79 CO 0.45 -0.08 0.33 -0.36 -0.69 0.00 0.00 174.62 174.28 2d8k s PHE 80 N 1.73 3.26 -0.09 4.92 0.40 -0.99 -4.98 117.98 122.22 2d8k s PHE 80 Ca -0.01 -0.10 -0.04 0.00 -0.60 0.00 0.00 56.93 56.18 2d8k s PHE 80 Cb -0.17 -1.63 0.05 0.00 0.51 0.00 0.00 43.02 41.79 2d8k s PHE 80 CO -0.07 0.36 0.19 -0.51 0.70 0.00 0.00 175.22 175.88 2d8k s LEU 81 N -3.98 0.00 -0.54 -0.37 1.43 -1.26 -3.12 118.68 110.84 2d8k s LEU 81 Ca 0.36 0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 53.74 2d8k s LEU 81 Cb -0.09 0.43 0.13 0.00 0.03 0.00 0.00 46.19 46.70 2d8k s LEU 81 CO 0.28 -0.23 0.46 -0.36 0.23 0.00 0.00 176.35 176.74 2d8k s PHE 82 N 2.11 3.36 0.15 0.29 0.08 -1.01 -4.94 117.98 118.02 2d8k s PHE 82 Ca 0.00 -1.60 -0.05 0.00 0.12 0.00 0.00 56.93 55.40 2d8k s PHE 82 Cb -0.12 -3.68 -0.06 0.00 -0.57 0.00 0.00 43.02 38.60 2d8k s PHE 82 CO -0.07 -1.00 0.40 -1.21 -0.10 0.00 0.00 175.22 173.24 2d8k s GLU 83 N 1.35 3.63 0.00 0.44 2.02 -1.26 -3.16 118.70 121.72 2d8k s GLU 83 Ca 0.06 -0.06 0.00 0.00 0.02 0.00 0.00 54.97 54.99 2d8k s GLU 83 Cb -0.27 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.14 2d8k s GLU 83 CO 0.00 0.45 0.00 0.41 0.02 0.00 0.00 175.26 176.14 2d8k n GLY 84 N 0.04 1.14 2.71 -1.39 0.00 -1.26 -5.07 105.19 101.35 2d8k n GLY 84 Ca -0.02 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.00 -0.13 0.37 1.61 0.40 -1.26 -5.12 117.98 111.84 2d8k s PHE 85 Ca 0.00 0.06 -0.27 0.00 -0.60 0.00 0.00 56.93 56.12 2d8k s PHE 85 Cb 0.00 -0.46 -0.09 0.00 0.51 0.00 0.00 43.02 42.98 2d8k s PHE 85 CO 0.00 -0.57 1.20 -1.25 0.70 0.00 0.00 175.22 175.30 2d8k s PRO 86 N 2.27 4.20 0.29 0.24 0.04 -1.26 -4.66 135.00 136.11 2d8k s PRO 86 Ca 0.05 1.94 0.04 0.00 0.04 0.00 0.00 61.00 63.08 2d8k s PRO 86 Cb -0.16 -2.84 0.75 0.00 0.04 0.00 0.00 34.50 32.29 2d8k s PRO 86 CO -0.11 -0.23 1.70 -0.92 0.04 0.00 0.00 177.00 177.48 2d8k h TYR 87 N 2.97 0.69 -0.54 0.56 5.03 -1.93 0.73 116.97 124.49 2d8k h TYR 87 Ca -0.49 0.04 0.16 0.00 2.58 0.00 0.00 58.73 61.02 2d8k h TYR 87 Cb 1.23 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 39.33 2d8k h TYR 87 CO 0.56 -0.03 0.41 1.05 -1.32 0.00 0.00 178.16 178.83 2d8k h GLU 88 N 0.42 0.00 0.00 1.82 4.11 -2.01 -1.65 114.58 117.27 2d8k h GLU 88 Ca 0.57 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.77 2d8k h GLU 88 Cb 1.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 2d8k h GLU 88 CO -0.52 0.00 -1.56 1.63 0.07 0.00 0.00 179.01 178.62 2d8k n LYS 89 N -4.24 0.55 -0.47 1.06 5.02 0.22 -4.26 118.16 116.03 2d8k n LYS 89 Ca 0.10 0.38 0.42 0.00 -2.02 0.00 0.00 58.31 57.19 2d8k n LYS 89 Cb 0.64 -1.58 0.75 0.00 -0.02 0.00 0.00 35.03 34.82 2d8k n LYS 89 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2d8k h VAL 90 N -1.00 0.17 -0.34 -0.18 3.04 -0.31 1.18 116.25 118.81 2d8k h VAL 90 Ca -0.35 0.00 -0.14 0.00 -1.01 0.00 0.00 66.70 65.19 2d8k h VAL 90 Cb 1.23 0.18 -0.01 0.00 -2.01 0.00 0.00 31.29 30.69 2d8k h VAL 90 CO -0.21 0.00 -0.37 -0.37 -1.01 0.00 0.00 177.57 175.61 2d8k h VAL 91 N 0.00 1.28 0.00 1.51 -1.51 -1.49 -2.69 116.25 113.35 2d8k h VAL 91 Ca 0.72 -1.53 0.00 0.00 -1.23 0.00 0.00 66.70 64.65 2d8k h VAL 91 Cb 3.00 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 33.57 2d8k h VAL 91 CO -0.01 0.50 0.00 1.56 -1.23 0.00 0.00 177.57 178.40 2d8k h GLN 92 N 0.65 0.00 -7.06 5.19 4.20 0.12 -3.22 115.11 115.00 2d8k h GLN 92 Ca 0.06 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.31 2d8k h GLN 92 Cb 0.92 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.76 2d8k h GLN 92 CO 0.08 0.00 0.11 1.03 -0.67 0.00 0.00 178.83 179.38 2d8k s ARG 93 N -3.43 2.62 0.02 1.46 1.81 -1.01 -4.85 118.95 115.57 2d8k s ARG 93 Ca 0.03 -0.32 0.05 0.00 -1.72 0.00 0.00 55.73 53.77 2d8k s ARG 93 Cb 0.09 -2.32 -0.02 0.00 -0.45 0.00 0.00 34.95 32.25 2d8k s ARG 93 CO 0.43 -0.82 -0.16 0.42 -0.68 0.00 0.00 175.30 174.49 2d8k s ILE 94 N -2.97 1.24 -0.18 1.52 1.01 -0.27 -3.14 121.20 118.41 2d8k s ILE 94 Ca 0.56 -0.91 -0.25 0.00 0.00 0.00 0.00 60.65 60.06 2d8k s ILE 94 Cb -0.10 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.27 2d8k s ILE 94 CO 0.43 0.16 0.80 -0.22 0.00 0.00 0.00 174.94 176.11 2d8k s LEU 95 N -0.86 4.16 -0.26 2.97 2.96 -0.12 -2.45 118.68 125.07 2d8k s LEU 95 Ca 0.04 1.11 -0.01 0.00 -0.22 0.00 0.00 54.13 55.06 2d8k s LEU 95 Cb -0.07 -3.18 0.04 0.00 0.50 0.00 0.00 46.19 43.48 2d8k s LEU 95 CO 0.01 -0.39 -0.06 -0.47 -1.32 0.00 0.00 176.35 174.12 2d8k s TYR 96 N 2.19 3.16 -0.27 5.38 5.04 -0.40 -2.11 117.35 130.34 2d8k s TYR 96 Ca 0.36 -1.83 -0.00 0.00 -2.44 0.00 0.00 57.07 53.16 2d8k s TYR 96 Cb -0.16 -2.04 0.04 0.00 0.35 0.00 0.00 41.96 40.15 2d8k s TYR 96 CO 0.11 -0.79 -0.06 -0.51 -1.34 0.00 0.00 175.55 172.97 2d8k s LEU 97 N 1.25 3.50 -0.15 6.97 1.43 -0.91 -1.42 118.68 129.36 2d8k s LEU 97 Ca -0.03 -1.17 -0.00 0.00 -1.03 0.00 0.00 54.13 51.90 2d8k s LEU 97 Cb -0.18 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 2d8k s LEU 97 CO -0.04 -0.19 -0.14 -1.58 0.23 0.00 0.00 176.35 174.63 2d8k s GLN 98 N 1.23 3.29 -0.45 1.70 0.74 -0.53 -0.98 119.66 124.66 2d8k s GLN 98 Ca -0.04 -0.72 -0.11 0.00 0.05 0.00 0.00 55.36 54.53 2d8k s GLN 98 Cb -0.19 -2.64 0.09 0.00 1.10 0.00 0.00 33.01 31.37 2d8k s GLN 98 CO -0.04 0.08 0.33 0.08 -0.55 0.00 0.00 175.29 175.20 2d8k s VAL 99 N 0.67 4.56 0.51 1.34 1.01 -0.05 0.42 120.40 128.86 2d8k s VAL 99 Ca -0.07 -1.40 0.02 0.00 0.00 0.00 0.00 61.98 60.54 2d8k s VAL 99 Cb -0.16 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 2d8k s VAL 99 CO 0.02 -0.61 0.08 -0.76 0.00 0.00 0.00 175.10 173.84 2d8k s LEU 100 N 1.48 2.41 -0.07 3.92 1.02 -0.29 -2.99 118.68 124.16 2d8k s LEU 100 Ca 0.04 -1.55 0.05 0.00 0.02 0.00 0.00 54.13 52.69 2d8k s LEU 100 Cb -0.25 -0.84 -0.01 0.00 0.02 0.00 0.00 46.19 45.11 2d8k s LEU 100 CO 0.03 -0.88 -0.24 -0.62 0.02 0.00 0.00 176.35 174.66 2d8k s ASP 101 N -3.95 3.15 0.05 2.29 2.15 -1.26 0.79 116.67 119.89 2d8k s ASP 101 Ca 0.13 -0.50 -0.26 0.00 0.43 0.00 0.00 52.55 52.35 2d8k s ASP 101 Cb 0.01 -0.99 -0.05 0.00 -0.30 0.00 0.00 42.92 41.59 2d8k s ASP 101 CO 0.07 0.23 0.81 -0.47 -0.17 0.00 0.00 175.17 175.64 2d8k s TYR 102 N -0.06 3.74 -0.23 -5.34 6.14 -0.77 -4.60 117.35 116.24 2d8k s TYR 102 Ca -0.07 1.53 -0.03 0.00 0.64 0.00 0.00 57.07 59.15 2d8k s TYR 102 Cb -0.15 -2.87 0.12 0.00 0.42 0.00 0.00 41.96 39.48 2d8k s TYR 102 CO 0.05 0.24 0.35 0.34 0.64 0.00 0.00 175.55 177.17 2d8k s ASP 103 N 0.02 0.42 0.80 4.32 -1.08 -1.26 -4.70 116.67 115.19 2d8k s ASP 103 Ca 0.40 0.19 -0.11 0.00 -0.52 0.00 0.00 52.55 52.52 2d8k s ASP 103 Cb -0.21 0.99 0.08 0.00 -1.46 0.00 0.00 42.92 42.32 2d8k s ASP 103 CO 0.24 -0.30 1.12 -0.60 0.52 0.00 0.00 175.17 176.15 2d8k s ARG 104 N 2.51 1.92 -1.50 4.34 3.52 -1.26 -3.23 118.95 125.24 2d8k s ARG 104 Ca 0.11 1.35 -0.03 0.00 -0.13 0.00 0.00 55.73 57.03 2d8k s ARG 104 Cb -0.15 -1.85 0.01 0.00 -1.56 0.00 0.00 34.95 31.40 2d8k s ARG 104 CO -0.15 -1.93 0.27 1.19 -0.81 0.00 0.00 175.30 173.88 2d8k n PHE 105 N -3.59 -1.52 -3.79 5.12 3.72 -1.26 -4.91 117.46 111.23 2d8k n PHE 105 Ca 0.10 0.24 -0.03 0.00 -0.05 0.00 0.00 57.45 57.72 2d8k n PHE 105 Cb 0.52 -3.78 0.00 0.00 -0.94 0.00 0.00 39.48 35.29 2d8k n PHE 105 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2d8k s SER 106 N -2.35 -0.09 0.88 4.37 1.04 -1.20 -5.18 113.70 111.17 2d8k s SER 106 Ca 0.16 -0.47 -0.12 0.00 0.48 0.00 0.00 55.95 55.99 2d8k s SER 106 Cb -0.07 0.45 0.16 0.00 0.10 0.00 0.00 66.02 66.65 2d8k s SER 106 CO 0.19 -0.85 1.22 -0.13 0.98 0.00 0.00 173.24 174.65 2d8k s ARG 107 N -2.73 1.12 -0.66 4.02 1.81 -1.26 -4.85 118.95 116.39 2d8k s ARG 107 Ca 0.16 -0.45 -0.02 0.00 -1.72 0.00 0.00 55.73 53.70 2d8k s ARG 107 Cb -0.01 -1.97 0.17 0.00 -0.45 0.00 0.00 34.95 32.69 2d8k s ARG 107 CO 0.03 -2.05 0.48 -0.80 -0.68 0.00 0.00 175.30 172.29 2d8k s ASN 108 N -4.79 5.28 -0.16 0.23 -0.87 -1.26 -4.63 114.94 108.73 2d8k s ASN 108 Ca 0.70 -3.03 -0.29 0.00 -1.57 0.00 0.00 52.86 48.66 2d8k s ASN 108 Cb -0.06 -1.85 -0.02 0.00 -0.02 0.00 0.00 41.25 39.31 2d8k s ASN 108 CO 0.50 -0.32 1.36 -0.62 -2.57 0.00 0.00 177.10 175.45 2d8k s ASP 109 N 0.43 6.83 0.07 -1.22 -1.08 -1.26 -4.97 116.67 115.46 2d8k s ASP 109 Ca 0.19 1.74 -0.31 0.00 -0.52 0.00 0.00 52.55 53.65 2d8k s ASP 109 Cb -0.18 -2.54 -0.07 0.00 -1.46 0.00 0.00 42.92 38.67 2d8k s ASP 109 CO -0.05 -0.86 1.39 -2.16 0.52 0.00 0.00 175.17 174.02 2d8k s PRO 110 N 3.75 4.31 -0.16 4.34 0.04 -1.26 -4.23 135.00 141.79 2d8k s PRO 110 Ca 0.59 2.03 -0.24 0.00 0.04 0.00 0.00 61.00 63.43 2d8k s PRO 110 Cb -0.24 -3.38 -0.21 0.00 0.04 0.00 0.00 34.50 30.71 2d8k s PRO 110 CO 0.19 -0.49 0.50 0.82 0.04 0.00 0.00 177.00 178.07 2d8k h ILE 111 N 4.52 1.33 -2.84 0.56 2.04 -1.86 -3.43 117.51 117.82 2d8k h ILE 111 Ca -0.41 -2.17 0.06 0.00 1.00 0.00 0.00 64.86 63.34 2d8k h ILE 111 Cb 1.20 2.68 -0.09 0.00 -0.74 0.00 0.00 36.82 39.87 2d8k h ILE 111 CO 0.88 0.45 0.28 -0.83 0.00 0.00 0.00 178.15 178.93 2d8k s GLY 112 N -4.40 -0.33 0.19 5.37 0.00 -1.16 -3.77 107.32 103.21 2d8k s GLY 112 Ca -0.21 0.16 -0.14 0.00 0.00 0.00 0.00 44.72 44.54 2d8k s GLY 112 CO 0.60 0.05 0.43 -1.83 0.00 0.00 0.00 173.10 172.35 2d8k s GLU 113 N -3.70 1.31 -0.03 2.90 4.04 -0.80 -0.88 118.70 121.55 2d8k s GLU 113 Ca 0.07 -1.03 -0.03 0.00 0.04 0.00 0.00 54.97 54.03 2d8k s GLU 113 Cb -0.03 0.46 0.01 0.00 0.02 0.00 0.00 34.13 34.58 2d8k s GLU 113 CO -0.02 -0.53 0.07 0.08 -1.84 0.00 0.00 175.26 173.02 2d8k s VAL 114 N -3.93 0.01 -0.26 1.83 1.01 -0.15 -1.15 120.40 117.76 2d8k s VAL 114 Ca 0.14 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.08 2d8k s VAL 114 Cb 0.01 -0.13 0.07 0.00 0.00 0.00 0.00 36.38 36.33 2d8k s VAL 114 CO -0.00 -0.03 -0.04 -0.94 0.00 0.00 0.00 175.10 174.09 2d8k s SER 115 N -0.05 4.13 -0.10 3.32 1.04 -1.26 -2.14 113.70 118.63 2d8k s SER 115 Ca -0.01 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 55.01 2d8k s SER 115 Cb -0.01 -1.30 0.02 0.00 0.10 0.00 0.00 66.02 64.84 2d8k s SER 115 CO 0.00 -0.26 -0.08 -0.63 0.98 0.00 0.00 173.24 173.25 2d8k s ILE 116 N 1.28 1.04 0.17 -1.02 1.01 -0.90 -4.99 121.20 117.79 2d8k s ILE 116 Ca -0.03 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.00 2d8k s ILE 116 Cb -0.19 -1.04 -0.08 0.00 0.01 0.00 0.00 42.46 41.16 2d8k s ILE 116 CO -0.08 0.36 1.32 -2.16 0.00 0.00 0.00 174.94 174.38 2d8k s PRO 117 N 1.53 4.38 0.00 2.79 0.04 -1.26 -0.95 135.00 141.53 2d8k s PRO 117 Ca 0.02 2.04 0.17 0.00 0.04 0.00 0.00 61.00 63.27 2d8k s PRO 117 Cb -0.13 -3.22 0.79 0.00 0.04 0.00 0.00 34.50 31.98 2d8k s PRO 117 CO -0.06 -0.29 1.54 1.28 0.04 0.00 0.00 177.00 179.51 2d8k n LEU 118 N 3.01 0.00 0.13 -3.56 4.77 -1.19 -2.32 117.00 117.84 2d8k n LEU 118 Ca 0.07 0.42 0.03 0.00 -0.03 0.00 0.00 56.01 56.51 2d8k n LEU 118 Cb 0.43 -0.42 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2d8k n LEU 118 CO 0.58 -0.18 0.39 -0.55 -1.33 0.00 0.00 177.39 176.31 2d8k h ASN 119 N 0.00 0.00 0.08 -1.43 -1.07 -1.78 -3.34 115.58 108.04 2d8k h ASN 119 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 56.30 56.12 2d8k h ASN 119 Cb 0.25 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.49 2d8k h ASN 119 CO 0.00 0.47 -1.33 0.11 0.07 0.00 0.00 177.43 176.75 2d8k h LYS 120 N 0.00 0.18 -6.63 4.14 1.79 -1.80 -3.46 116.57 110.78 2d8k h LYS 120 Ca -0.02 -0.31 -0.53 0.00 -2.18 0.00 0.00 60.65 57.62 2d8k h LYS 120 Cb 1.38 0.11 0.04 0.00 -1.58 0.00 0.00 32.23 32.19 2d8k h LYS 120 CO 0.06 1.15 0.83 0.54 -1.08 0.00 0.00 179.45 180.95 2d8k s VAL 121 N -2.44 2.73 -1.07 0.50 0.11 -1.18 -4.85 120.40 114.19 2d8k s VAL 121 Ca -0.22 0.54 -0.25 0.00 -2.93 0.00 0.00 61.98 59.12 2d8k s VAL 121 Cb 0.04 -3.35 -0.18 0.00 -1.53 0.00 0.00 36.38 31.37 2d8k s VAL 121 CO 0.73 0.05 2.01 0.47 -3.33 0.00 0.00 175.10 175.02 2d8k n ASP 122 N 3.60 2.12 0.09 3.54 8.00 -1.26 -4.70 116.55 127.95 2d8k n ASP 122 Ca 0.12 -2.59 0.14 0.00 0.71 0.00 0.00 54.79 53.17 2d8k n ASP 122 Cb 0.39 -1.66 0.65 0.00 -0.02 0.00 0.00 41.12 40.48 2d8k n ASP 122 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2d8k h LEU 123 N 19.99 0.04 -1.64 0.64 3.38 -1.89 -2.34 115.31 133.49 2d8k h LEU 123 Ca 0.12 0.00 0.50 0.00 0.09 0.00 0.00 57.88 58.60 2d8k h LEU 123 Cb 0.95 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.59 2d8k h LEU 123 CO 1.18 0.03 1.14 0.35 0.09 0.00 0.00 178.44 181.23 2d8k n THR 124 N -4.45 -0.09 -3.91 0.22 -2.24 -1.26 -2.95 114.28 99.60 2d8k n THR 124 Ca 0.05 1.50 -0.09 0.00 -2.27 0.00 0.00 64.05 63.23 2d8k n THR 124 Cb 0.37 -2.48 -0.07 0.00 -2.10 0.00 0.00 70.33 66.05 2d8k n THR 124 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d8k s GLN 125 N -4.88 1.05 0.03 -0.78 -2.07 -0.88 -4.92 119.66 107.21 2d8k s GLN 125 Ca -0.05 -1.08 -0.30 0.00 -1.82 0.00 0.00 55.36 52.10 2d8k s GLN 125 Cb 0.26 0.37 -0.06 0.00 -1.09 0.00 0.00 33.01 32.49 2d8k s GLN 125 CO 0.81 -0.37 1.39 1.41 -1.32 0.00 0.00 175.29 177.20 2d8k s MET 126 N -3.92 4.30 -0.05 9.60 -2.45 -1.26 -4.57 119.30 120.94 2d8k s MET 126 Ca 0.12 1.98 -0.00 0.00 -1.25 0.00 0.00 55.69 56.54 2d8k s MET 126 Cb 0.04 -3.49 0.03 0.00 1.25 0.00 0.00 34.83 32.65 2d8k s MET 126 CO -0.04 -0.53 -0.00 -0.65 1.05 0.00 0.00 175.02 174.85 2d8k s GLN 127 N 2.05 0.46 0.24 4.11 -1.52 -0.64 -4.96 119.66 119.40 2d8k s GLN 127 Ca 0.64 0.09 -0.30 0.00 -1.95 0.00 0.00 55.36 53.84 2d8k s GLN 127 Cb -0.32 -0.73 -0.09 0.00 -0.22 0.00 0.00 33.01 31.65 2d8k s GLN 127 CO 0.27 -0.21 0.98 0.99 -0.25 0.00 0.00 175.29 177.08 2d8k s THR 128 N 1.48 3.96 -0.04 -0.19 2.01 -1.26 -2.50 115.64 119.10 2d8k s THR 128 Ca -0.03 1.95 0.05 0.00 0.31 0.00 0.00 61.69 63.96 2d8k s THR 128 Cb -0.13 -4.24 -0.01 0.00 0.01 0.00 0.00 72.50 68.13 2d8k s THR 128 CO -0.03 0.46 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.83 2d8k s PHE 129 N -1.10 1.66 -0.28 4.92 0.40 -1.04 -5.01 117.98 117.52 2d8k s PHE 129 Ca 0.42 -0.44 0.03 0.00 -0.60 0.00 0.00 56.93 56.35 2d8k s PHE 129 Cb -0.27 -1.11 0.07 0.00 0.51 0.00 0.00 43.02 42.22 2d8k s PHE 129 CO 0.34 -0.13 -0.06 -1.58 0.70 0.00 0.00 175.22 174.49 2d8k s TRP 130 N -0.07 3.38 0.12 0.36 0.52 -1.26 -3.30 118.94 118.69 2d8k s TRP 130 Ca -0.01 -2.51 0.07 0.00 0.02 0.00 0.00 56.10 53.67 2d8k s TRP 130 Cb -0.10 -2.21 -0.04 0.00 -1.15 0.00 0.00 33.47 29.97 2d8k s TRP 130 CO 0.01 -0.90 -0.16 0.15 0.02 0.00 0.00 176.95 176.08 2d8k s LYS 131 N 1.05 1.07 -0.45 4.98 -0.14 -1.24 -5.03 119.74 119.99 2d8k s LYS 131 Ca -0.03 -1.24 -0.21 0.00 -1.36 0.00 0.00 55.97 53.12 2d8k s LYS 131 Cb -0.20 -1.05 0.03 0.00 -1.68 0.00 0.00 37.83 34.93 2d8k s LYS 131 CO -0.06 0.21 0.70 -0.51 -0.76 0.00 0.00 175.35 174.93 2d8k s ASP 132 N -2.38 6.34 -0.56 2.83 1.11 -1.26 -1.97 116.67 120.79 2d8k s ASP 132 Ca 0.09 -0.31 -0.31 0.00 0.18 0.00 0.00 52.55 52.20 2d8k s ASP 132 Cb -0.06 -2.34 -0.16 0.00 1.07 0.00 0.00 42.92 41.43 2d8k s ASP 132 CO 0.04 -0.85 1.89 0.18 1.18 0.00 0.00 175.17 177.61 2d8k n LEU 133 N 6.44 0.46 -4.62 1.23 4.77 -0.77 -4.82 117.00 119.69 2d8k n LEU 133 Ca -0.01 0.39 -0.33 0.00 -0.03 0.00 0.00 56.01 56.03 2d8k n LEU 133 Cb 0.48 -0.73 0.13 0.00 -2.33 0.00 0.00 43.42 40.97 2d8k n LEU 133 CO 0.56 -0.60 0.55 0.29 -1.33 0.00 0.00 177.39 176.86 2d8k n LYS 134 N 6.33 0.01 -2.05 3.23 4.76 -0.30 -4.54 118.16 125.60 2d8k n LYS 134 Ca 0.48 0.08 -0.28 0.00 -2.87 0.00 0.00 58.31 55.71 2d8k n LYS 134 Cb -0.01 -2.28 -0.05 0.00 -1.84 0.00 0.00 35.03 30.85 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 -3.99 2.56 0.10 1.97 0.04 -1.26 -1.91 135.00 132.52 2d8k s PRO 135 Ca 0.69 -0.18 -0.31 0.00 0.04 0.00 0.00 61.00 61.24 2d8k s PRO 135 Cb -0.28 -4.98 -0.09 0.00 0.04 0.00 0.00 34.50 29.20 2d8k s PRO 135 CO 0.55 -3.30 1.58 -1.54 0.04 0.00 0.00 177.00 174.33 2d8k s SER 136 N 8.04 6.64 0.44 6.66 1.04 -1.25 -4.95 113.70 130.33 2d8k s SER 136 Ca 0.70 2.49 0.08 0.00 0.48 0.00 0.00 55.95 59.69 2d8k s SER 136 Cb -0.07 -2.58 -0.00 0.00 0.10 0.00 0.00 66.02 63.47 2d8k s SER 136 CO 0.02 -0.83 0.42 -0.83 0.98 0.00 0.00 173.24 173.01 2d8k s GLY 137 N 1.77 2.13 0.00 7.32 0.00 -1.26 -4.83 107.32 112.44 2d8k s GLY 137 Ca 0.71 -1.82 0.15 0.00 0.00 0.00 0.00 44.72 43.76 2d8k s GLY 137 CO 0.31 -1.71 1.29 -1.55 0.00 0.00 0.00 173.10 171.44 2d8k n PRO 138 N -1.64 0.48 -1.55 2.90 -0.04 -1.26 -4.76 135.00 129.13 2d8k n PRO 138 Ca 0.04 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.10 2d8k n PRO 138 Cb 0.62 -1.47 -0.04 0.00 -0.04 0.00 0.00 33.50 32.56 2d8k n PRO 138 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2d8k n SER 139 N -0.97 2.46 -4.79 3.54 7.64 -1.26 -4.92 113.62 115.32 2d8k n SER 139 Ca 0.11 -0.11 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 2d8k n SER 139 Cb 0.05 -1.49 0.01 0.00 -1.01 0.00 0.00 64.21 61.77 2d8k n SER 139 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2d8k s SER 140 N 10.13 5.75 0.00 6.43 1.04 -1.26 -5.22 113.70 130.57 2d8k s SER 140 Ca 1.03 1.98 0.14 0.00 0.48 0.00 0.00 55.95 59.59 2d8k s SER 140 Cb -0.39 -2.56 0.11 0.00 0.10 0.00 0.00 66.02 63.29 2d8k s SER 140 CO 0.34 -1.19 0.95 0.61 0.98 0.00 0.00 173.24 174.93