#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4a s LYS 2 N 0.00 0.26 -0.10 3.49 0.00 -1.26 -4.47 119.74 117.66 2k4a s LYS 2 Ca 0.00 0.10 0.14 0.00 0.00 0.00 0.00 55.97 56.21 2k4a s LYS 2 Cb 0.00 -0.89 0.22 0.00 0.00 0.00 0.00 37.83 37.16 2k4a s LYS 2 CO 0.00 -0.81 1.11 -0.11 0.00 0.00 0.00 175.35 175.54 2k4a n LEU 3 N 5.32 1.85 0.00 2.77 7.94 0.45 -4.38 117.00 130.96 2k4a n LEU 3 Ca -0.04 -2.61 0.00 0.00 -1.11 0.00 0.00 56.01 52.26 2k4a n LEU 3 Cb 0.48 -0.32 0.00 0.00 0.53 0.00 0.00 43.42 44.11 2k4a n LEU 3 CO 0.05 0.60 0.00 0.61 -1.11 0.00 0.00 177.39 177.54 2k4a n GLY 4 N -1.11 -0.20 3.06 -3.96 0.00 -1.22 -4.52 105.19 97.24 2k4a n GLY 4 Ca 0.12 -1.07 -0.17 0.00 0.00 0.00 0.00 46.02 44.90 2k4a n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4a s LYS 5 N 0.00 0.68 -0.20 1.61 1.02 -1.25 -0.45 119.74 121.16 2k4a s LYS 5 Ca 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.44 2k4a s LYS 5 Cb 0.00 -0.62 0.02 0.00 -0.52 0.00 0.00 37.83 36.71 2k4a s LYS 5 CO 0.00 0.15 -0.16 -1.17 -0.92 0.00 0.00 175.35 173.25 2k4a s LEU 6 N -0.85 2.41 -0.11 3.17 0.20 0.52 -3.18 118.68 120.84 2k4a s LEU 6 Ca -0.01 -0.67 -0.21 0.00 0.69 0.00 0.00 54.13 53.93 2k4a s LEU 6 Cb -0.06 -1.54 -0.04 0.00 -0.43 0.00 0.00 46.19 44.12 2k4a s LEU 6 CO 0.00 -0.02 0.62 0.00 -0.29 0.00 0.00 176.35 176.66 2k4a s GLN 7 N 1.31 4.36 0.11 1.98 0.00 -0.77 0.33 119.66 126.98 2k4a s GLN 7 Ca 0.04 0.69 -0.11 0.00 -0.00 0.00 0.00 55.36 55.98 2k4a s GLN 7 Cb -0.14 -3.47 0.01 0.00 0.00 0.00 0.00 33.01 29.41 2k4a s GLN 7 CO -0.10 0.03 0.27 1.52 0.00 0.00 0.00 175.29 177.00 2k4a s TYR 8 N 0.99 0.06 -0.25 9.60 -0.85 -1.13 0.19 117.35 125.96 2k4a s TYR 8 Ca 0.32 -0.45 0.02 0.00 -0.52 0.00 0.00 57.07 56.44 2k4a s TYR 8 Cb -0.16 0.05 0.06 0.00 0.38 0.00 0.00 41.96 42.28 2k4a s TYR 8 CO 0.14 -0.62 -0.08 -1.12 -1.52 0.00 0.00 175.55 172.35 2k4a s SER 9 N -2.85 4.23 -0.20 -0.18 0.01 0.22 -2.77 113.70 112.15 2k4a s SER 9 Ca 0.06 -1.35 -0.06 0.00 1.31 0.00 0.00 55.95 55.90 2k4a s SER 9 Cb 0.04 -1.41 -0.03 0.00 0.21 0.00 0.00 66.02 64.83 2k4a s SER 9 CO -0.10 -0.22 0.04 -0.76 0.41 0.00 0.00 173.24 172.61 2k4a s LEU 10 N 1.21 3.50 0.38 2.44 1.43 0.18 0.59 118.68 128.41 2k4a s LEU 10 Ca -0.07 -0.09 0.05 0.00 -1.03 0.00 0.00 54.13 52.99 2k4a s LEU 10 Cb -0.20 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 2k4a s LEU 10 CO -0.06 0.09 0.20 1.51 0.23 0.00 0.00 176.35 178.33 2k4a s ASP 11 N 0.87 2.29 0.05 2.29 -4.77 0.86 0.23 116.67 118.49 2k4a s ASP 11 Ca 0.02 -1.73 -0.09 0.00 -3.30 0.00 0.00 52.55 47.45 2k4a s ASP 11 Cb -0.14 0.56 0.00 0.00 -1.09 0.00 0.00 42.92 42.25 2k4a s ASP 11 CO 0.02 -1.01 0.19 -0.72 0.70 0.00 0.00 175.17 174.35 2k4a s TYR 12 N -3.32 0.08 -0.10 2.11 1.13 -1.26 0.18 117.35 116.17 2k4a s TYR 12 Ca 0.31 -0.34 0.03 0.00 -1.41 0.00 0.00 57.07 55.67 2k4a s TYR 12 Cb 0.02 -0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.84 2k4a s TYR 12 CO 0.21 -0.44 -0.21 0.34 -2.51 0.00 0.00 175.55 172.94 2k4a s ASP 13 N -2.20 2.81 0.07 -0.18 -1.08 0.84 -4.88 116.67 112.05 2k4a s ASP 13 Ca -0.04 -0.51 0.17 0.00 -0.52 0.00 0.00 52.55 51.65 2k4a s ASP 13 Cb -0.00 -1.29 -0.13 0.00 -1.46 0.00 0.00 42.92 40.04 2k4a s ASP 13 CO -0.05 0.12 0.84 2.19 0.52 0.00 0.00 175.17 178.79 2k4a h PHE 14 N 6.87 0.00 -0.44 -5.34 -5.15 -1.95 -0.36 116.94 110.57 2k4a h PHE 14 Ca -0.23 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.51 2k4a h PHE 14 Cb 1.22 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.37 2k4a h PHE 14 CO 0.47 0.57 0.17 -0.56 -2.00 0.00 0.00 178.31 176.97 2k4a h GLN 15 N 0.00 0.65 0.00 6.09 3.07 -1.95 -2.92 115.11 120.05 2k4a h GLN 15 Ca -0.16 -0.12 0.00 0.00 0.09 0.00 0.00 58.65 58.46 2k4a h GLN 15 Cb 1.57 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 29.03 2k4a h GLN 15 CO 0.05 0.60 -1.31 0.27 0.09 0.00 0.00 178.83 178.53 2k4a n ASN 16 N -4.61 0.53 -2.57 0.06 0.23 -1.26 -5.02 115.26 102.63 2k4a n ASN 16 Ca 0.01 0.09 -0.05 0.00 -0.53 0.00 0.00 54.58 54.10 2k4a n ASN 16 Cb 0.15 1.01 0.02 0.00 -2.08 0.00 0.00 39.78 38.88 2k4a n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k4a n ASN 17 N -2.36 -5.40 -3.47 0.53 2.85 -0.61 -4.95 115.26 101.84 2k4a n ASN 17 Ca -0.01 -0.24 -0.11 0.00 -0.11 0.00 0.00 54.58 54.11 2k4a n ASN 17 Cb 0.53 -3.68 -0.03 0.00 1.24 0.00 0.00 39.78 37.84 2k4a n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k4a s GLN 18 N -3.43 1.04 0.16 1.20 1.03 -0.24 -2.75 119.66 116.68 2k4a s GLN 18 Ca 0.14 -0.27 -0.04 0.00 0.04 0.00 0.00 55.36 55.23 2k4a s GLN 18 Cb -0.02 0.48 -0.05 0.00 0.03 0.00 0.00 33.01 33.45 2k4a s GLN 18 CO 0.48 -0.43 0.39 -0.51 -2.54 0.00 0.00 175.29 172.68 2k4a s LEU 19 N -2.32 4.24 -0.28 2.60 1.43 0.16 -0.11 118.68 124.40 2k4a s LEU 19 Ca 0.00 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 2k4a s LEU 19 Cb -0.01 -3.31 0.06 0.00 0.03 0.00 0.00 46.19 42.96 2k4a s LEU 19 CO -0.07 0.02 -0.06 -0.22 0.23 0.00 0.00 176.35 176.24 2k4a s LEU 20 N -2.83 3.74 -0.53 1.79 1.98 0.47 -0.16 118.68 123.14 2k4a s LEU 20 Ca 0.41 -1.47 -0.18 0.00 -2.89 0.00 0.00 54.13 50.00 2k4a s LEU 20 Cb -0.12 -1.60 0.08 0.00 0.66 0.00 0.00 46.19 45.21 2k4a s LEU 20 CO 0.26 -0.24 0.60 -0.69 -1.89 0.00 0.00 176.35 174.39 2k4a s VAL 21 N 1.11 4.94 -0.91 1.68 1.01 -0.74 -0.09 120.40 127.39 2k4a s VAL 21 Ca -0.06 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 2k4a s VAL 21 Cb -0.20 -4.33 0.23 0.00 0.00 0.00 0.00 36.38 32.08 2k4a s VAL 21 CO -0.04 -0.86 0.82 -0.83 0.00 0.00 0.00 175.10 174.18 2k4a s GLY 22 N 3.00 3.02 0.75 4.51 0.00 0.20 -0.75 107.32 118.04 2k4a s GLY 22 Ca 0.11 -3.75 -0.11 0.00 0.00 0.00 0.00 44.72 40.98 2k4a s GLY 22 CO 0.09 1.22 1.09 -0.26 0.00 0.00 0.00 173.10 175.24 2k4a s ILE 23 N -1.09 3.40 -0.11 0.90 -0.00 -1.25 0.69 121.20 123.73 2k4a s ILE 23 Ca 0.26 0.48 -0.10 0.00 -0.00 0.00 0.00 60.65 61.29 2k4a s ILE 23 Cb -0.09 -3.00 -0.03 0.00 -0.00 0.00 0.00 42.46 39.33 2k4a s ILE 23 CO -0.10 -0.56 -0.20 -0.38 -0.00 0.00 0.00 174.94 173.69 2k4a n ILE 24 N -3.30 0.91 -3.52 8.37 5.41 0.52 -3.84 119.36 123.92 2k4a n ILE 24 Ca 0.09 0.29 -0.08 0.00 1.00 0.00 0.00 62.75 64.05 2k4a n ILE 24 Cb 0.53 -2.02 -0.02 0.00 -0.71 0.00 0.00 39.64 37.42 2k4a n ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k4a s GLN 25 N -2.12 0.82 0.53 0.38 -2.07 -1.09 -2.23 119.66 113.88 2k4a s GLN 25 Ca -0.17 -0.31 0.07 0.00 -1.82 0.00 0.00 55.36 53.13 2k4a s GLN 25 Cb 0.02 0.37 0.04 0.00 -1.09 0.00 0.00 33.01 32.36 2k4a s GLN 25 CO 0.25 -0.36 0.51 0.00 -1.32 0.00 0.00 175.29 174.36 2k4a s ALA 26 N -3.11 4.45 0.03 2.60 0.00 -1.14 -1.86 121.76 122.73 2k4a s ALA 26 Ca 0.05 -1.61 -0.27 0.00 0.00 0.00 0.00 51.96 50.13 2k4a s ALA 26 Cb -0.01 -0.98 0.08 0.00 0.00 0.00 0.00 23.12 22.21 2k4a s ALA 26 CO -0.08 -0.52 0.69 0.00 0.00 0.00 0.00 175.76 175.85 2k4a s ALA 27 N -2.69 -1.72 -1.52 0.00 0.00 -1.19 -4.10 121.76 110.54 2k4a s ALA 27 Ca 0.44 0.97 -0.04 0.00 0.00 0.00 0.00 51.96 53.33 2k4a s ALA 27 Cb -0.03 0.36 0.01 0.00 0.00 0.00 0.00 23.12 23.46 2k4a s ALA 27 CO 0.27 -0.56 0.41 0.39 0.00 0.00 0.00 175.76 176.27 2k4a n GLU 28 N 0.25 -3.76 -2.11 0.00 1.02 -0.87 -3.93 120.64 111.24 2k4a n GLU 28 Ca -0.17 0.84 -0.41 0.00 -0.02 0.00 0.00 57.16 57.41 2k4a n GLU 28 Cb 0.61 -5.62 -0.02 0.00 -0.02 0.00 0.00 31.44 26.39 2k4a n GLU 28 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k4a s LEU 29 N -6.43 4.42 0.71 -4.62 1.43 -0.11 -4.43 118.68 109.66 2k4a s LEU 29 Ca 0.23 2.69 -0.16 0.00 -1.03 0.00 0.00 54.13 55.86 2k4a s LEU 29 Cb -0.11 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.46 2k4a s LEU 29 CO 0.28 -0.54 0.98 -2.65 0.23 0.00 0.00 176.35 174.64 2k4a n PRO 30 N 0.78 0.56 -3.16 1.29 -0.02 -1.26 -4.75 135.00 128.44 2k4a n PRO 30 Ca 0.00 0.25 -0.43 0.00 -2.02 0.00 0.00 63.50 61.30 2k4a n PRO 30 Cb 0.42 -2.23 -0.07 0.00 -0.02 0.00 0.00 33.50 31.60 2k4a n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k4a s ALA 31 N -1.78 3.37 -0.13 3.55 0.00 -1.26 -4.47 121.76 121.03 2k4a s ALA 31 Ca 0.74 -1.29 0.13 0.00 0.00 0.00 0.00 51.96 51.54 2k4a s ALA 31 Cb -0.35 -3.24 -0.18 0.00 0.00 0.00 0.00 23.12 19.35 2k4a s ALA 31 CO 0.50 -1.73 0.07 -0.11 0.00 0.00 0.00 175.76 174.49 2k4a n LEU 32 N 6.09 0.00 -4.82 0.00 -0.00 -0.48 -4.79 117.00 112.99 2k4a n LEU 32 Ca -0.03 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.65 2k4a n LEU 32 Cb 0.48 0.33 -0.05 0.00 -0.00 0.00 0.00 43.42 44.18 2k4a n LEU 32 CO 0.52 0.33 0.67 -0.62 -0.00 0.00 0.00 177.39 178.29 2k4a s ASP 33 N -4.72 6.72 -0.78 1.96 2.15 0.38 -4.91 116.67 117.47 2k4a s ASP 33 Ca -0.07 1.71 -0.20 0.00 0.43 0.00 0.00 52.55 54.42 2k4a s ASP 33 Cb 0.05 -2.54 -0.15 0.00 -0.30 0.00 0.00 42.92 39.99 2k4a s ASP 33 CO 0.60 -0.52 1.94 0.80 -0.17 0.00 0.00 175.17 177.83 2k4a n MET 34 N -0.96 1.56 0.00 4.34 0.00 -1.26 -3.39 117.12 117.41 2k4a n MET 34 Ca 0.07 -1.80 0.00 0.00 -0.00 0.00 0.00 57.70 55.98 2k4a n MET 34 Cb 0.54 -2.86 0.00 0.00 0.00 0.00 0.00 33.22 30.90 2k4a n MET 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k4a n GLY 35 N 4.44 0.00 3.57 -5.12 0.00 -1.26 -4.97 105.19 101.85 2k4a n GLY 35 Ca 0.49 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.25 2k4a n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4a n GLY 36 N 0.00 -0.47 1.68 -0.02 0.00 -1.22 -4.88 105.19 100.28 2k4a n GLY 36 Ca 0.00 0.09 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 2k4a n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k4a n THR 37 N -3.94 0.00 -3.89 2.61 -2.24 -1.25 -4.84 114.28 100.74 2k4a n THR 37 Ca 0.02 -0.60 -0.09 0.00 -2.27 0.00 0.00 64.05 61.10 2k4a n THR 37 Cb 0.52 0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 69.22 2k4a n THR 37 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2k4a s SER 38 N -1.98 -0.00 -0.70 3.42 0.01 -1.26 0.14 113.70 113.33 2k4a s SER 38 Ca 0.10 -0.96 0.04 0.00 1.31 0.00 0.00 55.95 56.43 2k4a s SER 38 Cb -0.02 0.75 0.32 0.00 0.21 0.00 0.00 66.02 67.28 2k4a s SER 38 CO 0.07 -1.45 1.09 0.47 0.41 0.00 0.00 173.24 173.84 2k4a n ASP 39 N -0.92 4.97 -4.72 2.44 9.92 -1.26 -0.27 116.55 126.71 2k4a n ASP 39 Ca -0.05 -3.62 -0.42 0.00 -0.53 0.00 0.00 54.79 50.17 2k4a n ASP 39 Cb 0.60 -0.73 -0.03 0.00 -0.64 0.00 0.00 41.12 40.32 2k4a n ASP 39 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2k4a s PRO 40 N -3.37 4.46 -0.04 -0.24 0.04 -1.17 -0.16 135.00 134.53 2k4a s PRO 40 Ca 0.44 1.75 0.03 0.00 0.04 0.00 0.00 61.00 63.26 2k4a s PRO 40 Cb 0.22 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 31.43 2k4a s PRO 40 CO -0.09 -0.19 -0.10 1.52 0.04 0.00 0.00 177.00 178.17 2k4a s TYR 41 N 0.82 1.13 -0.12 0.56 -0.85 0.43 -3.28 117.35 116.05 2k4a s TYR 41 Ca 0.57 -0.32 -0.24 0.00 -0.52 0.00 0.00 57.07 56.55 2k4a s TYR 41 Cb -0.29 -0.81 -0.03 0.00 0.38 0.00 0.00 41.96 41.21 2k4a s TYR 41 CO 0.30 -0.15 0.77 0.14 -1.52 0.00 0.00 175.55 175.10 2k4a s VAL 42 N 0.32 4.96 -0.19 -3.49 -7.23 -1.26 0.10 120.40 113.61 2k4a s VAL 42 Ca -0.06 1.55 -0.04 0.00 -1.81 0.00 0.00 61.98 61.62 2k4a s VAL 42 Cb -0.11 -4.09 -0.02 0.00 0.56 0.00 0.00 36.38 32.72 2k4a s VAL 42 CO 0.01 0.14 -0.04 -1.59 -0.31 0.00 0.00 175.10 173.31 2k4a s LYS 43 N 1.49 3.50 -0.20 4.82 -2.85 0.25 -2.30 119.74 124.46 2k4a s LYS 43 Ca 0.38 -0.58 -0.25 0.00 -1.00 0.00 0.00 55.97 54.52 2k4a s LYS 43 Cb -0.17 -2.96 -0.01 0.00 -2.06 0.00 0.00 37.83 32.63 2k4a s LYS 43 CO 0.16 0.00 0.83 0.14 0.10 0.00 0.00 175.35 176.58 2k4a s VAL 44 N 0.97 4.87 0.27 1.79 -7.23 -0.47 -2.04 120.40 118.56 2k4a s VAL 44 Ca 0.00 1.60 0.02 0.00 -1.81 0.00 0.00 61.98 61.80 2k4a s VAL 44 Cb -0.15 -4.13 -0.05 0.00 0.56 0.00 0.00 36.38 32.61 2k4a s VAL 44 CO 0.01 -0.01 0.07 -0.36 -0.31 0.00 0.00 175.10 174.50 2k4a s PHE 45 N 2.38 1.63 0.17 2.82 0.40 -0.44 -3.68 117.98 121.27 2k4a s PHE 45 Ca 0.37 -1.08 -0.03 0.00 -0.60 0.00 0.00 56.93 55.59 2k4a s PHE 45 Cb -0.16 -0.99 -0.03 0.00 0.51 0.00 0.00 43.02 42.35 2k4a s PHE 45 CO 0.10 -0.21 0.13 -0.51 0.70 0.00 0.00 175.22 175.44 2k4a s LEU 46 N -3.35 1.37 0.00 -0.37 2.01 -1.26 -1.59 118.68 115.48 2k4a s LEU 46 Ca 0.36 -1.21 -0.11 0.00 0.01 0.00 0.00 54.13 53.17 2k4a s LEU 46 Cb 0.08 0.52 0.18 0.00 0.01 0.00 0.00 46.19 46.97 2k4a s LEU 46 CO 0.13 -0.81 0.40 0.00 1.01 0.00 0.00 176.35 177.08 2k4a n LEU 47 N -0.19 0.00 -0.09 1.79 -0.00 -1.08 -4.18 117.00 113.25 2k4a n LEU 47 Ca -0.03 -0.40 0.06 0.00 -0.00 0.00 0.00 56.01 55.64 2k4a n LEU 47 Cb 0.64 -0.46 0.12 0.00 -0.00 0.00 0.00 43.42 43.73 2k4a n LEU 47 CO 0.30 -2.12 0.25 -2.65 -0.00 0.00 0.00 177.39 173.18 2k4a n PRO 48 N -3.75 -0.02 -0.33 1.47 -0.02 -1.26 0.60 135.00 131.69 2k4a n PRO 48 Ca 0.06 0.40 -0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2k4a n PRO 48 Cb 0.28 -0.67 0.04 0.00 -0.02 0.00 0.00 33.50 33.13 2k4a n PRO 48 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2k4a n ASP 49 N -3.91 -0.53 -2.06 2.55 2.03 -1.26 -4.73 116.55 108.64 2k4a n ASP 49 Ca 0.08 1.49 -0.04 0.00 0.52 0.00 0.00 54.79 56.84 2k4a n ASP 49 Cb 0.28 -0.35 -0.01 0.00 -0.72 0.00 0.00 41.12 40.32 2k4a n ASP 49 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k4a n LYS 50 N -5.27 -2.22 -1.80 -0.67 4.76 0.20 -4.80 118.16 108.36 2k4a n LYS 50 Ca 0.09 0.22 -0.38 0.00 -2.87 0.00 0.00 58.31 55.37 2k4a n LYS 50 Cb 0.35 -4.61 -0.02 0.00 -1.84 0.00 0.00 35.03 28.91 2k4a n LYS 50 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k4a n LYS 51 N -2.19 4.17 0.00 1.97 5.02 -1.26 -4.78 118.16 121.08 2k4a n LYS 51 Ca -0.05 -3.07 0.00 0.00 -2.02 0.00 0.00 58.31 53.17 2k4a n LYS 51 Cb 0.41 -2.60 0.00 0.00 -0.02 0.00 0.00 35.03 32.83 2k4a n LYS 51 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2k4a n LYS 52 N 1.98 0.00 -3.23 1.97 2.85 -1.26 -4.31 118.16 116.16 2k4a n LYS 52 Ca 0.64 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.87 2k4a n LYS 52 Cb 0.29 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.65 2k4a n LYS 52 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2k4a s LYS 53 N -1.14 0.67 -0.03 -1.58 2.20 -1.26 -4.69 119.74 113.90 2k4a s LYS 53 Ca 0.00 -0.07 0.05 0.00 -0.36 0.00 0.00 55.97 55.59 2k4a s LYS 53 Cb 0.00 -0.04 -0.01 0.00 -1.51 0.00 0.00 37.83 36.27 2k4a s LYS 53 CO 0.00 -1.13 -0.19 0.12 -0.36 0.00 0.00 175.35 173.79 2k4a s PHE 54 N 2.16 1.80 0.01 4.03 5.36 -1.24 -5.03 117.98 125.07 2k4a s PHE 54 Ca 0.14 -0.42 0.07 0.00 -0.96 0.00 0.00 56.93 55.76 2k4a s PHE 54 Cb -0.08 -1.18 -0.03 0.00 -0.34 0.00 0.00 43.02 41.39 2k4a s PHE 54 CO -0.15 -0.09 -0.22 -2.00 -1.46 0.00 0.00 175.22 171.30 2k4a s GLU 55 N -0.28 2.08 0.52 10.12 2.12 -1.26 -1.36 118.70 130.63 2k4a s GLU 55 Ca 0.03 -0.96 -0.01 0.00 0.36 0.00 0.00 54.97 54.39 2k4a s GLU 55 Cb -0.09 -2.12 0.01 0.00 0.26 0.00 0.00 34.13 32.19 2k4a s GLU 55 CO 0.01 0.55 0.77 0.95 -0.54 0.00 0.00 175.26 176.99 2k4a s THR 56 N -0.78 3.53 0.15 -1.70 -4.23 -0.97 -5.03 115.64 106.60 2k4a s THR 56 Ca 0.12 -0.40 -0.31 0.00 -1.18 0.00 0.00 61.69 59.92 2k4a s THR 56 Cb -0.10 -3.34 -0.10 0.00 1.34 0.00 0.00 72.50 70.30 2k4a s THR 56 CO 0.02 -0.27 1.58 -0.75 -0.54 0.00 0.00 174.62 174.66 2k4a s LYS 57 N -4.74 4.21 -0.20 3.99 2.36 -1.26 -4.77 119.74 119.33 2k4a s LYS 57 Ca 0.52 2.36 -0.32 0.00 -2.55 0.00 0.00 55.97 55.98 2k4a s LYS 57 Cb -0.10 -3.23 -0.09 0.00 -1.05 0.00 0.00 37.83 33.36 2k4a s LYS 57 CO 0.40 -0.63 2.10 1.55 1.55 0.00 0.00 175.35 180.33 2k4a n VAL 58 N 4.10 0.41 -3.08 4.02 3.14 -1.26 -4.80 118.33 120.86 2k4a n VAL 58 Ca 0.14 -0.29 -0.45 0.00 -2.96 0.00 0.00 64.34 60.79 2k4a n VAL 58 Cb 0.39 -2.12 -0.01 0.00 -1.06 0.00 0.00 33.84 31.04 2k4a n VAL 58 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 2k4a s HIS 59 N 6.59 3.64 0.43 1.45 0.09 -1.21 -5.02 115.29 121.27 2k4a s HIS 59 Ca 1.00 -2.11 -0.25 0.00 -0.00 0.00 0.00 55.06 53.70 2k4a s HIS 59 Cb -0.58 -4.14 -0.08 0.00 -0.00 0.00 0.00 32.58 27.78 2k4a s HIS 59 CO 0.44 -1.26 1.28 -0.98 -0.00 0.00 0.00 174.74 174.22 2k4a s ARG 60 N 0.96 3.84 -1.08 1.40 1.04 -1.26 -3.02 118.95 120.84 2k4a s ARG 60 Ca 0.35 2.10 -0.22 0.00 -1.04 0.00 0.00 55.73 56.92 2k4a s ARG 60 Cb -0.06 -2.65 0.03 0.00 -2.04 0.00 0.00 34.95 30.23 2k4a s ARG 60 CO -0.05 -0.58 0.67 1.63 -0.04 0.00 0.00 175.30 176.94 2k4a n LYS 61 N -0.10 -0.75 -3.60 3.89 4.76 0.01 -4.88 118.16 117.49 2k4a n LYS 61 Ca 0.05 0.35 -0.02 0.00 -2.87 0.00 0.00 58.31 55.82 2k4a n LYS 61 Cb 0.44 -2.70 -0.05 0.00 -1.84 0.00 0.00 35.03 30.88 2k4a n LYS 61 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k4a s THR 62 N -3.35 -0.55 -2.54 -0.18 -1.32 0.63 -4.83 115.64 103.50 2k4a s THR 62 Ca 0.34 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 61.04 2k4a s THR 62 Cb -0.17 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 69.92 2k4a s THR 62 CO 0.93 0.00 1.17 0.18 -2.21 0.00 0.00 174.62 174.69 2k4a n LEU 63 N 4.90 2.57 -2.82 9.08 4.77 -1.26 -4.44 117.00 129.79 2k4a n LEU 63 Ca -0.14 -0.91 -0.12 0.00 -0.03 0.00 0.00 56.01 54.82 2k4a n LEU 63 Cb 0.53 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.64 2k4a n LEU 63 CO -0.03 0.45 -0.09 0.59 -1.33 0.00 0.00 177.39 176.97 2k4a n ASN 64 N 0.79 0.91 -4.83 -1.43 4.13 -1.26 -0.93 115.26 112.63 2k4a n ASN 64 Ca 0.12 -2.82 -0.33 0.00 1.68 0.00 0.00 54.58 53.24 2k4a n ASN 64 Cb 0.53 -0.37 -0.05 0.00 -1.54 0.00 0.00 39.78 38.35 2k4a n ASN 64 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2k4a s PRO 65 N -2.58 4.07 0.15 3.52 0.04 -1.26 -4.90 135.00 134.05 2k4a s PRO 65 Ca 0.30 1.04 0.09 0.00 0.04 0.00 0.00 61.00 62.47 2k4a s PRO 65 Cb 0.42 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 2k4a s PRO 65 CO -0.01 -0.16 -0.19 0.14 0.04 0.00 0.00 177.00 176.82 2k4a s VAL 66 N -2.40 1.81 0.00 -0.36 -7.23 -1.26 -2.89 120.40 108.07 2k4a s VAL 66 Ca 0.61 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 2k4a s VAL 66 Cb -0.10 -1.79 0.00 0.00 0.56 0.00 0.00 36.38 35.05 2k4a s VAL 66 CO 0.23 -0.25 0.00 0.33 -0.31 0.00 0.00 175.10 175.09 2k4a n PHE 67 N 0.46 -0.72 -2.37 2.82 -0.00 -1.16 -5.05 117.46 111.44 2k4a n PHE 67 Ca -0.14 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.28 2k4a n PHE 67 Cb 0.56 0.14 0.01 0.00 -0.00 0.00 0.00 39.48 40.20 2k4a n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2k4a n ASN 68 N -1.93 -4.95 -4.83 -2.13 5.15 -0.94 -5.02 115.26 100.59 2k4a n ASN 68 Ca 0.00 -0.14 -0.38 0.00 -0.60 0.00 0.00 54.58 53.46 2k4a n ASN 68 Cb 0.00 -3.25 -0.06 0.00 -0.53 0.00 0.00 39.78 35.94 2k4a n ASN 68 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2k4a s GLU 69 N -3.23 3.94 0.03 1.20 2.02 -1.25 -4.89 118.70 116.53 2k4a s GLU 69 Ca 0.08 0.42 -0.29 0.00 0.02 0.00 0.00 54.97 55.20 2k4a s GLU 69 Cb -0.01 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 2k4a s GLU 69 CO 0.40 0.67 0.94 -1.14 0.02 0.00 0.00 175.26 176.16 2k4a s GLN 70 N -1.02 4.59 -0.30 1.61 -0.44 -1.26 -3.93 119.66 118.91 2k4a s GLN 70 Ca 0.24 1.38 -0.07 0.00 -2.50 0.00 0.00 55.36 54.41 2k4a s GLN 70 Cb -0.17 -3.43 0.02 0.00 -1.64 0.00 0.00 33.01 27.79 2k4a s GLN 70 CO 0.13 0.06 0.08 0.12 0.50 0.00 0.00 175.29 176.19 2k4a s PHE 71 N 0.62 3.17 -0.82 1.67 5.36 0.07 -4.98 117.98 123.06 2k4a s PHE 71 Ca 0.49 -1.07 -0.25 0.00 -0.96 0.00 0.00 56.93 55.14 2k4a s PHE 71 Cb -0.21 -2.26 0.01 0.00 -0.34 0.00 0.00 43.02 40.22 2k4a s PHE 71 CO 0.28 -0.61 1.58 0.99 -1.46 0.00 0.00 175.22 176.00 2k4a s THR 72 N 1.48 3.64 -1.36 0.12 2.01 -1.26 -1.80 115.64 118.47 2k4a s THR 72 Ca 0.02 -0.10 -0.16 0.00 0.31 0.00 0.00 61.69 61.76 2k4a s THR 72 Cb -0.18 -4.57 0.06 0.00 0.01 0.00 0.00 72.50 67.82 2k4a s THR 72 CO 0.02 -1.50 1.94 0.33 -0.69 0.00 0.00 174.62 174.72 2k4a n PHE 73 N 10.84 4.17 -1.76 4.92 -0.00 0.77 -4.88 117.46 131.53 2k4a n PHE 73 Ca 0.22 -2.91 -0.34 0.00 -0.00 0.00 0.00 57.45 54.42 2k4a n PHE 73 Cb 0.50 -2.58 -0.04 0.00 -0.00 0.00 0.00 39.48 37.37 2k4a n PHE 73 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 2k4a s LYS 74 N 3.63 2.26 0.00 -4.13 -0.14 -1.26 -0.67 119.74 119.43 2k4a s LYS 74 Ca 0.50 0.90 0.00 0.00 -1.36 0.00 0.00 55.97 56.01 2k4a s LYS 74 Cb 0.08 -4.58 0.00 0.00 -1.68 0.00 0.00 37.83 31.65 2k4a s LYS 74 CO 0.01 -3.23 0.00 0.28 -0.76 0.00 0.00 175.35 171.64 2k4a n VAL 75 N 7.80 0.00 -1.75 3.17 0.31 -1.25 -4.72 118.33 121.90 2k4a n VAL 75 Ca 0.32 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.27 2k4a n VAL 75 Cb 0.52 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.50 2k4a n VAL 75 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2k4a s PRO 76 N 0.00 2.92 0.41 5.55 0.02 -1.11 -3.77 135.00 139.03 2k4a s PRO 76 Ca 0.00 2.20 0.17 0.00 0.02 0.00 0.00 61.00 63.39 2k4a s PRO 76 Cb 0.00 -2.12 1.07 0.00 0.02 0.00 0.00 34.50 33.47 2k4a s PRO 76 CO 0.00 -1.35 1.85 0.10 -0.33 0.00 0.00 177.00 177.27 2k4a h TYR 77 N 1.13 0.57 -0.36 6.54 -0.00 -1.91 0.84 116.97 123.78 2k4a h TYR 77 Ca -0.51 0.02 -0.06 0.00 0.00 0.00 0.00 58.73 58.18 2k4a h TYR 77 Cb 1.31 -0.17 -0.01 0.00 0.00 0.00 0.00 36.73 37.86 2k4a h TYR 77 CO 0.44 0.15 0.00 0.66 -0.00 0.00 0.00 178.16 179.41 2k4a h SER 78 N 0.42 0.62 -0.02 0.10 4.64 -1.98 -2.93 113.55 114.41 2k4a h SER 78 Ca 0.48 -0.30 -0.14 0.00 -0.47 0.00 0.00 61.79 61.35 2k4a h SER 78 Cb 1.16 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 2k4a h SER 78 CO -0.19 0.77 -0.45 -0.33 -0.87 0.00 0.00 176.83 175.77 2k4a h GLU 79 N 0.45 0.56 -1.07 4.77 5.08 -0.92 -3.11 114.58 120.34 2k4a h GLU 79 Ca 0.10 -0.31 0.39 0.00 -1.00 0.00 0.00 59.36 58.54 2k4a h GLU 79 Cb 0.45 0.02 -0.16 0.00 0.50 0.00 0.00 28.75 29.56 2k4a h GLU 79 CO 0.02 0.90 0.62 1.25 -1.00 0.00 0.00 179.01 180.80 2k4a h LEU 80 N 0.46 0.38 -1.80 1.33 6.46 0.72 0.48 115.31 123.33 2k4a h LEU 80 Ca 0.03 0.21 0.19 0.00 -0.12 0.00 0.00 57.88 58.19 2k4a h LEU 80 Cb 0.96 0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 41.06 2k4a h LEU 80 CO 0.09 -0.27 0.66 1.23 -0.62 0.00 0.00 178.44 179.52 2k4a h GLY 81 N 0.14 0.00 -2.26 3.75 0.00 -1.58 0.16 103.07 103.28 2k4a h GLY 81 Ca 0.80 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.89 2k4a h GLY 81 CO -0.63 0.00 -0.24 0.61 0.00 0.00 0.00 176.54 176.28 2k4a n GLY 82 N -1.58 5.29 3.17 4.60 0.00 0.17 -4.31 105.19 112.54 2k4a n GLY 82 Ca 0.13 -1.57 -0.26 0.00 0.00 0.00 0.00 46.02 44.33 2k4a n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4a s LYS 83 N -3.35 1.63 -0.31 1.61 3.01 0.55 -4.86 119.74 118.02 2k4a s LYS 83 Ca 0.46 -0.66 0.03 0.00 -1.01 0.00 0.00 55.97 54.79 2k4a s LYS 83 Cb 0.41 -1.52 0.09 0.00 -1.01 0.00 0.00 37.83 35.80 2k4a s LYS 83 CO -0.01 0.35 -0.00 0.99 0.51 0.00 0.00 175.35 177.19 2k4a s THR 84 N -0.28 2.16 0.24 2.17 2.01 -1.26 0.36 115.64 121.03 2k4a s THR 84 Ca 0.04 -2.04 -0.31 0.00 0.31 0.00 0.00 61.69 59.68 2k4a s THR 84 Cb -0.09 -2.49 -0.12 0.00 0.01 0.00 0.00 72.50 69.82 2k4a s THR 84 CO 0.00 -0.40 1.68 -0.22 -0.69 0.00 0.00 174.62 175.00 2k4a s LEU 85 N 1.01 4.36 -0.28 4.42 0.20 0.14 -2.62 118.68 125.91 2k4a s LEU 85 Ca 0.04 2.90 -0.02 0.00 0.69 0.00 0.00 54.13 57.74 2k4a s LEU 85 Cb -0.19 -3.61 0.09 0.00 -0.43 0.00 0.00 46.19 42.05 2k4a s LEU 85 CO -0.08 -0.96 0.10 0.68 -0.29 0.00 0.00 176.35 175.80 2k4a s VAL 86 N 0.77 0.50 -0.23 1.68 -7.23 -0.62 -0.41 120.40 114.86 2k4a s VAL 86 Ca 0.71 -1.05 -0.08 0.00 -1.81 0.00 0.00 61.98 59.75 2k4a s VAL 86 Cb -0.49 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 2k4a s VAL 86 CO 0.38 -0.62 0.10 -0.32 -0.31 0.00 0.00 175.10 174.32 2k4a s MET 87 N 1.82 3.88 -0.02 4.82 0.00 0.18 -1.33 119.30 128.64 2k4a s MET 87 Ca 0.08 -0.38 0.06 0.00 0.00 0.00 0.00 55.69 55.45 2k4a s MET 87 Cb -0.17 -3.36 -0.01 0.00 0.00 0.00 0.00 34.83 31.29 2k4a s MET 87 CO -0.27 0.02 -0.21 0.00 0.00 0.00 0.00 175.02 174.57 2k4a s ALA 88 N 1.09 1.75 -0.30 4.11 0.00 -0.86 0.83 121.76 128.37 2k4a s ALA 88 Ca 0.05 -0.89 -0.11 0.00 0.00 0.00 0.00 51.96 51.01 2k4a s ALA 88 Cb -0.14 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 2k4a s ALA 88 CO 0.04 0.41 0.19 0.54 0.00 0.00 0.00 175.76 176.94 2k4a s VAL 89 N -0.41 5.08 -0.09 0.00 0.11 0.59 0.87 120.40 126.56 2k4a s VAL 89 Ca 0.06 -0.09 -0.03 0.00 -2.93 0.00 0.00 61.98 58.99 2k4a s VAL 89 Cb -0.09 -3.51 -0.04 0.00 -1.53 0.00 0.00 36.38 31.22 2k4a s VAL 89 CO -0.00 0.14 0.05 -0.47 -3.33 0.00 0.00 175.10 171.49 2k4a s TYR 90 N 1.71 3.30 0.63 1.54 5.04 0.28 -3.23 117.35 126.62 2k4a s TYR 90 Ca 0.06 0.29 -0.07 0.00 -2.44 0.00 0.00 57.07 54.92 2k4a s TYR 90 Cb -0.17 -1.83 0.02 0.00 0.35 0.00 0.00 41.96 40.34 2k4a s TYR 90 CO 0.09 0.56 0.96 0.34 -1.34 0.00 0.00 175.55 176.16 2k4a s ASP 91 N -1.01 5.41 -0.33 4.32 2.15 -0.77 0.16 116.67 126.61 2k4a s ASP 91 Ca 0.15 0.73 0.17 0.00 0.43 0.00 0.00 52.55 54.03 2k4a s ASP 91 Cb -0.12 -1.62 0.45 0.00 -0.30 0.00 0.00 42.92 41.33 2k4a s ASP 91 CO 0.04 -1.22 0.99 0.33 -0.17 0.00 0.00 175.17 175.14 2k4a n PHE 92 N -2.72 0.74 -0.43 -5.34 7.35 0.77 -4.56 117.46 113.27 2k4a n PHE 92 Ca 0.06 -2.72 0.36 0.00 -0.76 0.00 0.00 57.45 54.39 2k4a n PHE 92 Cb 0.58 -0.16 0.66 0.00 0.35 0.00 0.00 39.48 40.91 2k4a n PHE 92 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 2k4a h ASP 93 N 2.89 0.22 -3.20 -2.13 2.03 -1.90 -3.42 116.42 110.91 2k4a h ASP 93 Ca -0.12 0.09 -0.11 0.00 -0.73 0.00 0.00 57.03 56.16 2k4a h ASP 93 Cb 1.19 0.07 0.06 0.00 -0.83 0.00 0.00 39.33 39.81 2k4a h ASP 93 CO 0.44 -0.07 -0.26 0.54 -1.03 0.00 0.00 179.24 178.86 2k4a n ARG 94 N -4.50 -2.29 0.16 4.15 1.74 -1.26 -4.87 116.66 109.79 2k4a n ARG 94 Ca 0.34 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.71 2k4a n ARG 94 Cb 1.36 -3.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.16 2k4a n ARG 94 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k4a n PHE 95 N -2.16 -3.98 -2.91 -1.55 7.35 -1.26 -5.15 117.46 107.80 2k4a n PHE 95 Ca -0.09 1.08 -0.09 0.00 -0.76 0.00 0.00 57.45 57.59 2k4a n PHE 95 Cb 0.56 2.85 0.04 0.00 0.35 0.00 0.00 39.48 43.27 2k4a n PHE 95 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2k4a n SER 96 N -3.30 0.92 -4.56 -2.13 7.64 -1.26 -4.99 113.62 105.95 2k4a n SER 96 Ca 0.00 -1.69 -0.35 0.00 1.01 0.00 0.00 58.87 57.84 2k4a n SER 96 Cb 0.00 -0.22 -0.04 0.00 -1.01 0.00 0.00 64.21 62.95 2k4a n SER 96 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k4a s LYS 97 N -3.30 2.99 0.18 1.43 -0.14 -1.26 -4.88 119.74 114.75 2k4a s LYS 97 Ca 0.29 -0.40 -0.28 0.00 -1.36 0.00 0.00 55.97 54.22 2k4a s LYS 97 Cb -0.02 -4.92 -0.17 0.00 -1.68 0.00 0.00 37.83 31.04 2k4a s LYS 97 CO 0.19 -2.72 0.53 0.72 -0.76 0.00 0.00 175.35 173.31 2k4a n HIS 98 N 11.49 -0.40 -4.19 3.18 8.25 -1.26 -4.94 115.22 127.35 2k4a n HIS 98 Ca 0.29 0.94 -0.25 0.00 -0.26 0.00 0.00 57.72 58.44 2k4a n HIS 98 Cb 0.49 -1.89 -0.07 0.00 1.12 0.00 0.00 29.99 29.65 2k4a n HIS 98 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2k4a s ASP 99 N -0.90 4.98 -1.32 0.41 2.15 -1.26 -4.88 116.67 115.85 2k4a s ASP 99 Ca 0.63 -0.37 -0.11 0.00 0.43 0.00 0.00 52.55 53.13 2k4a s ASP 99 Cb -0.91 -1.12 0.14 0.00 -0.30 0.00 0.00 42.92 40.72 2k4a s ASP 99 CO 0.54 0.05 1.92 -0.38 -0.17 0.00 0.00 175.17 177.13 2k4a n ILE 100 N -0.45 4.14 -0.26 4.11 5.41 -1.26 -1.85 119.36 129.19 2k4a n ILE 100 Ca -0.09 -4.11 0.26 0.00 1.00 0.00 0.00 62.75 59.81 2k4a n ILE 100 Cb 0.56 -2.42 0.48 0.00 -0.71 0.00 0.00 39.64 37.55 2k4a n ILE 100 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 2k4a n ILE 101 N 3.88 -0.34 -3.86 1.39 -0.00 -1.20 -4.52 119.36 114.72 2k4a n ILE 101 Ca 0.42 1.64 0.03 0.00 -0.00 0.00 0.00 62.75 64.84 2k4a n ILE 101 Cb 0.38 -2.67 0.01 0.00 -0.00 0.00 0.00 39.64 37.35 2k4a n ILE 101 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 2k4a s GLY 102 N -4.23 -0.25 0.32 3.28 0.00 -1.24 -4.22 107.32 101.00 2k4a s GLY 102 Ca -0.07 0.31 -0.17 0.00 0.00 0.00 0.00 44.72 44.78 2k4a s GLY 102 CO 0.63 3.83 0.88 -1.83 0.00 0.00 0.00 173.10 176.62 2k4a s GLU 103 N -2.12 1.95 -0.11 2.90 -1.05 0.25 -0.30 118.70 120.23 2k4a s GLU 103 Ca 0.24 -1.27 -0.21 0.00 -0.15 0.00 0.00 54.97 53.59 2k4a s GLU 103 Cb 0.02 0.54 0.05 0.00 -0.44 0.00 0.00 34.13 34.29 2k4a s GLU 103 CO -0.02 -0.92 0.52 -0.59 0.95 0.00 0.00 175.26 175.20 2k4a s PHE 104 N -2.11 -0.50 0.07 4.83 -0.12 0.24 -0.52 117.98 119.87 2k4a s PHE 104 Ca 0.18 1.04 -0.07 0.00 -0.05 0.00 0.00 56.93 58.03 2k4a s PHE 104 Cb -0.04 0.23 -0.01 0.00 -0.63 0.00 0.00 43.02 42.57 2k4a s PHE 104 CO 0.10 -0.40 0.15 -1.59 -0.05 0.00 0.00 175.22 173.42 2k4a s LYS 105 N -0.55 0.74 -0.28 1.99 -2.85 -1.26 0.47 119.74 118.01 2k4a s LYS 105 Ca -0.07 -0.89 -0.22 0.00 -1.00 0.00 0.00 55.97 53.79 2k4a s LYS 105 Cb -0.03 0.30 0.08 0.00 -2.06 0.00 0.00 37.83 36.12 2k4a s LYS 105 CO 0.04 -0.21 0.77 0.54 0.10 0.00 0.00 175.35 176.58 2k4a s VAL 106 N -3.40 0.00 -0.15 1.79 0.11 0.46 -4.99 120.40 114.22 2k4a s VAL 106 Ca 0.02 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.77 2k4a s VAL 106 Cb 0.03 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.83 2k4a s VAL 106 CO -0.08 0.00 1.82 -2.16 -3.33 0.00 0.00 175.10 171.35 2k4a s PRO 107 N 0.77 3.76 0.25 1.54 0.04 -1.26 -0.69 135.00 139.41 2k4a s PRO 107 Ca -0.03 1.98 -0.04 0.00 0.04 0.00 0.00 61.00 62.96 2k4a s PRO 107 Cb -0.05 -4.13 0.39 0.00 0.04 0.00 0.00 34.50 30.75 2k4a s PRO 107 CO -0.07 -1.36 1.85 0.52 0.04 0.00 0.00 177.00 177.99 2k4a h MET 108 N 11.52 0.99 -0.66 4.56 2.86 -0.33 -0.61 114.93 133.25 2k4a h MET 108 Ca -0.39 -0.06 0.19 0.00 -2.06 0.00 0.00 59.70 57.38 2k4a h MET 108 Cb 1.19 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.60 2k4a h MET 108 CO 0.98 0.66 0.48 -0.97 1.06 0.00 0.00 176.91 179.11 2k4a h ASN 109 N 1.02 0.03 1.69 1.22 -1.24 -1.67 0.67 115.58 117.30 2k4a h ASN 109 Ca 0.41 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.42 2k4a h ASN 109 Cb 0.23 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.28 2k4a h ASN 109 CO -0.19 0.01 -0.04 0.74 -1.29 0.00 0.00 177.43 176.66 2k4a h THR 110 N 0.03 0.00 -2.23 -3.57 2.02 -1.47 -3.42 112.91 104.28 2k4a h THR 110 Ca 0.32 -0.74 -0.60 0.00 0.77 0.00 0.00 66.41 66.16 2k4a h THR 110 Cb 1.23 1.71 -0.12 0.00 -1.74 0.00 0.00 68.15 69.23 2k4a h THR 110 CO -0.01 0.00 0.94 -0.69 0.37 0.00 0.00 175.52 176.13 2k4a s VAL 111 N -3.16 4.09 -0.82 3.16 1.01 0.23 -4.94 120.40 119.97 2k4a s VAL 111 Ca 0.09 -0.33 -0.25 0.00 0.00 0.00 0.00 61.98 61.48 2k4a s VAL 111 Cb 0.09 -4.85 -0.09 0.00 0.00 0.00 0.00 36.38 31.53 2k4a s VAL 111 CO 0.64 -1.70 2.16 1.51 0.00 0.00 0.00 175.10 177.72 2k4a s ASP 112 N 3.94 4.57 -0.44 3.32 -4.77 -1.26 -4.82 116.67 117.22 2k4a s ASP 112 Ca 0.32 -0.25 -0.05 0.00 -3.30 0.00 0.00 52.55 49.28 2k4a s ASP 112 Cb -0.09 -2.55 -0.12 0.00 -1.09 0.00 0.00 42.92 39.07 2k4a s ASP 112 CO 0.05 -3.24 2.33 2.22 0.70 0.00 0.00 175.17 177.24 2k4a n PHE 113 N 16.07 0.65 -0.09 2.11 -1.74 -1.26 -4.47 117.46 128.72 2k4a n PHE 113 Ca 0.42 -1.43 -0.13 0.00 -0.56 0.00 0.00 57.45 55.75 2k4a n PHE 113 Cb 0.46 -1.41 -0.05 0.00 1.52 0.00 0.00 39.48 40.00 2k4a n PHE 113 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 2k4a h GLY 114 N 6.59 0.66 0.00 4.97 0.00 -1.99 -3.46 103.07 109.83 2k4a h GLY 114 Ca 0.30 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2k4a h GLY 114 CO 0.83 0.59 0.00 1.42 0.00 0.00 0.00 176.54 179.38 2k4a n HIS 115 N -4.37 -0.31 -3.72 5.60 8.25 -1.26 -5.13 115.22 114.28 2k4a n HIS 115 Ca -0.04 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.30 2k4a n HIS 115 Cb 0.42 0.32 -0.11 0.00 1.12 0.00 0.00 29.99 31.73 2k4a n HIS 115 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2k4a s VAL 116 N -0.63 -0.02 -0.59 1.59 -7.23 -1.26 -4.45 120.40 107.81 2k4a s VAL 116 Ca 0.00 0.08 -0.12 0.00 -1.81 0.00 0.00 61.98 60.13 2k4a s VAL 116 Cb 0.00 -0.51 0.15 0.00 0.56 0.00 0.00 36.38 36.58 2k4a s VAL 116 CO 0.00 0.03 0.50 -0.89 -0.31 0.00 0.00 175.10 174.43 2k4a s THR 117 N 0.95 4.81 -0.17 5.32 2.01 0.64 -4.94 115.64 124.26 2k4a s THR 117 Ca -0.06 -1.95 -0.01 0.00 0.31 0.00 0.00 61.69 59.98 2k4a s THR 117 Cb -0.07 -4.09 -0.00 0.00 0.01 0.00 0.00 72.50 68.35 2k4a s THR 117 CO -0.07 -0.87 -0.12 -1.61 -0.69 0.00 0.00 174.62 171.25 2k4a s GLU 118 N 1.05 3.28 0.20 4.92 2.02 -1.26 0.50 118.70 129.41 2k4a s GLU 118 Ca 0.08 -0.71 -0.23 0.00 0.02 0.00 0.00 54.97 54.14 2k4a s GLU 118 Cb -0.23 -2.73 0.05 0.00 0.10 0.00 0.00 34.13 31.31 2k4a s GLU 118 CO -0.02 -0.03 0.73 -1.83 0.02 0.00 0.00 175.26 174.14 2k4a s GLU 119 N 0.95 1.47 -0.84 1.61 -1.05 -1.11 -5.03 118.70 114.70 2k4a s GLU 119 Ca -0.02 -0.73 -0.19 0.00 -0.15 0.00 0.00 54.97 53.89 2k4a s GLU 119 Cb -0.15 0.56 0.13 0.00 -0.44 0.00 0.00 34.13 34.23 2k4a s GLU 119 CO -0.01 -0.66 1.01 -1.58 0.95 0.00 0.00 175.26 174.96 2k4a s TRP 120 N -3.71 3.14 0.32 4.83 0.23 -1.26 -2.84 118.94 119.65 2k4a s TRP 120 Ca 0.08 -1.32 -0.29 0.00 -2.03 0.00 0.00 56.10 52.53 2k4a s TRP 120 Cb -0.03 -4.19 -0.10 0.00 0.03 0.00 0.00 33.47 29.18 2k4a s TRP 120 CO -0.01 -1.42 1.25 0.50 0.96 0.00 0.00 176.95 178.23 2k4a s ARG 121 N 2.50 4.43 0.14 4.98 6.06 0.15 -4.79 118.95 132.41 2k4a s ARG 121 Ca 0.27 2.10 -0.24 0.00 -2.50 0.00 0.00 55.73 55.36 2k4a s ARG 121 Cb -0.09 -3.10 -0.08 0.00 0.06 0.00 0.00 34.95 31.74 2k4a s ARG 121 CO -0.05 -0.08 0.72 0.16 -2.50 0.00 0.00 175.30 173.55 2k4a s ASP 122 N -0.60 7.29 -0.16 -2.12 -4.77 -1.26 0.19 116.67 115.24 2k4a s ASP 122 Ca 0.48 1.53 -0.05 0.00 -3.30 0.00 0.00 52.55 51.21 2k4a s ASP 122 Cb -0.38 -2.46 -0.03 0.00 -1.09 0.00 0.00 42.92 38.96 2k4a s ASP 122 CO 0.50 0.22 0.01 -0.76 0.70 0.00 0.00 175.17 175.84 2k4a s LEU 123 N -1.10 3.55 -0.05 2.11 1.43 0.41 -4.71 118.68 120.32 2k4a s LEU 123 Ca 0.34 -0.00 0.06 0.00 -1.03 0.00 0.00 54.13 53.50 2k4a s LEU 123 Cb -0.22 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 2k4a s LEU 123 CO 0.24 0.20 -0.25 0.00 0.23 0.00 0.00 176.35 176.77 2k4a s GLN 124 N 0.22 2.46 -1.09 1.70 -2.07 0.32 -0.41 119.66 120.80 2k4a s GLN 124 Ca 0.01 -0.90 -0.22 0.00 -1.82 0.00 0.00 55.36 52.43 2k4a s GLN 124 Cb -0.13 -2.13 0.05 0.00 -1.09 0.00 0.00 33.01 29.71 2k4a s GLN 124 CO 0.02 0.40 1.53 -1.12 -1.32 0.00 0.00 175.29 174.80 2k4a s SER 125 N -0.23 6.54 -0.01 12.60 0.01 -1.26 0.86 113.70 132.21 2k4a s SER 125 Ca -0.02 -1.67 -0.30 0.00 1.31 0.00 0.00 55.95 55.27 2k4a s SER 125 Cb -0.13 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.46 2k4a s SER 125 CO 0.03 -1.47 1.61 0.00 0.41 0.00 0.00 173.24 173.82 2k4a s ALA 126 N 4.96 3.63 -0.66 1.44 0.00 -1.26 -4.66 121.76 125.22 2k4a s ALA 126 Ca 0.49 1.00 -0.26 0.00 0.00 0.00 0.00 51.96 53.19 2k4a s ALA 126 Cb 0.01 -3.71 -0.09 0.00 0.00 0.00 0.00 23.12 19.33 2k4a s ALA 126 CO -0.05 -1.24 2.31 -1.21 0.00 0.00 0.00 175.76 175.57 2k4a s GLU 127 N 3.39 2.00 0.00 0.00 2.02 -1.26 -4.83 118.70 120.02 2k4a s GLU 127 Ca 0.72 0.81 0.18 0.00 0.02 0.00 0.00 54.97 56.71 2k4a s GLU 127 Cb -0.35 -4.69 0.15 0.00 0.10 0.00 0.00 34.13 29.34 2k4a s GLU 127 CO 0.30 -3.68 1.08 1.63 0.02 0.00 0.00 175.26 174.61