#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwc s SER 5 N 0.00 1.97 0.08 1.69 0.15 -1.26 -1.65 113.70 114.67 3kwc s SER 5 Ca 0.00 -0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.34 3kwc s SER 5 Cb 0.00 -0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.06 3kwc s SER 5 CO 0.00 0.19 -0.06 -0.31 1.20 0.00 0.00 173.24 174.26 3kwc s TYR 6 N -0.44 0.77 0.64 3.44 2.02 0.01 -5.00 117.35 118.79 3kwc s TYR 6 Ca 0.06 -0.85 -0.15 0.00 -0.37 0.00 0.00 57.07 55.76 3kwc s TYR 6 Cb -0.07 -0.47 -0.01 0.00 -0.40 0.00 0.00 41.96 41.02 3kwc s TYR 6 CO -0.00 -0.17 1.09 0.00 -1.57 0.00 0.00 175.55 174.89 3kwc s ALA 7 N -3.18 2.57 0.34 3.71 0.00 -1.26 -1.84 121.76 122.10 3kwc s ALA 7 Ca 0.06 0.47 -0.29 0.00 0.00 0.00 0.00 51.96 52.21 3kwc s ALA 7 Cb 0.02 -3.28 -0.11 0.00 0.00 0.00 0.00 23.12 19.76 3kwc s ALA 7 CO -0.04 -1.12 1.40 0.00 0.00 0.00 0.00 175.76 175.99 3kwc s ALA 8 N -2.42 3.54 0.55 0.00 0.00 -0.20 -4.41 121.76 118.83 3kwc s ALA 8 Ca 0.65 1.40 -0.18 0.00 0.00 0.00 0.00 51.96 53.83 3kwc s ALA 8 Cb -0.19 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 3kwc s ALA 8 CO 0.41 -0.83 1.07 -1.25 0.00 0.00 0.00 175.76 175.16 3kwc s PRO 9 N -1.80 3.44 0.05 0.00 0.04 -1.26 -4.22 135.00 131.24 3kwc s PRO 9 Ca 0.51 1.38 -0.31 0.00 0.04 0.00 0.00 61.00 62.63 3kwc s PRO 9 Cb -0.43 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.02 3kwc s PRO 9 CO 0.56 -0.74 1.23 -1.25 0.04 0.00 0.00 177.00 176.84 3kwc s PRO 10 N -3.59 4.41 0.20 0.56 0.04 -1.26 -4.74 135.00 130.61 3kwc s PRO 10 Ca 0.67 1.80 -0.02 0.00 0.04 0.00 0.00 61.00 63.50 3kwc s PRO 10 Cb -0.18 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 3kwc s PRO 10 CO 0.29 -0.30 0.15 0.95 0.04 0.00 0.00 177.00 178.12 3kwc s THR 11 N 1.22 0.00 0.56 1.26 -4.23 0.11 -4.99 115.64 109.57 3kwc s THR 11 Ca 0.59 -1.97 0.26 0.00 -1.18 0.00 0.00 61.69 59.39 3kwc s THR 11 Cb -0.30 -2.49 0.36 0.00 1.34 0.00 0.00 72.50 71.42 3kwc s THR 11 CO 0.29 0.00 2.06 -0.65 -0.54 0.00 0.00 174.62 175.78 3kwc h PRO 12 N 2.60 0.00 -0.01 3.99 0.11 -2.01 -2.39 132.00 134.29 3kwc h PRO 12 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3kwc h PRO 12 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kwc h PRO 12 CO 0.52 0.00 -0.57 -2.67 -0.21 0.00 0.00 178.00 175.07 3kwc n TRP 13 N -4.06 0.00 -3.69 0.65 2.14 -1.26 -4.94 117.44 106.29 3kwc n TRP 13 Ca 0.04 0.00 -0.10 0.00 2.07 0.00 0.00 57.50 59.51 3kwc n TRP 13 Cb 0.40 -0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.80 3kwc n TRP 13 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 3kwc s SER 14 N -2.57 -0.56 0.00 -0.67 0.15 -0.90 -5.02 113.70 104.13 3kwc s SER 14 Ca 0.17 0.98 0.00 0.00 0.70 0.00 0.00 55.95 57.80 3kwc s SER 14 Cb 0.18 0.89 0.00 0.00 -1.71 0.00 0.00 66.02 65.38 3kwc s SER 14 CO 0.62 -0.20 0.29 0.54 1.20 0.00 0.00 173.24 175.70 3kwc n ARG 15 N 4.34 0.03 0.02 5.44 1.74 -1.26 0.08 116.66 127.05 3kwc n ARG 15 Ca -0.22 -0.34 0.13 0.00 -0.77 0.00 0.00 57.85 56.65 3kwc n ARG 15 Cb 0.55 -0.66 0.54 0.00 -1.02 0.00 0.00 32.46 31.88 3kwc n ARG 15 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3kwc n ASP 16 N -0.04 0.11 -4.04 0.55 5.68 -1.26 -4.90 116.55 112.65 3kwc n ASP 16 Ca 0.00 0.51 -0.32 0.00 -0.50 0.00 0.00 54.79 54.48 3kwc n ASP 16 Cb 0.24 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 3kwc n ASP 16 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3kwc n LEU 17 N -1.61 -2.21 -4.77 -2.12 4.77 -1.26 -4.86 117.00 104.95 3kwc n LEU 17 Ca 0.06 -0.89 -0.39 0.00 -0.03 0.00 0.00 56.01 54.76 3kwc n LEU 17 Cb 0.32 -2.35 -0.00 0.00 -2.33 0.00 0.00 43.42 39.05 3kwc n LEU 17 CO 0.25 0.39 0.97 0.00 -1.33 0.00 0.00 177.39 177.67 3kwc s ALA 18 N -3.34 3.26 0.25 -1.18 0.00 -1.26 -4.21 121.76 115.27 3kwc s ALA 18 Ca 0.65 1.24 0.10 0.00 0.00 0.00 0.00 51.96 53.95 3kwc s ALA 18 Cb -0.34 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 3kwc s ALA 18 CO 0.87 -0.84 -0.10 -1.21 0.00 0.00 0.00 175.76 174.48 3kwc s GLU 19 N -2.25 2.00 0.26 0.00 2.02 -1.26 -1.03 118.70 118.44 3kwc s GLU 19 Ca 0.57 -1.50 -0.31 0.00 0.02 0.00 0.00 54.97 53.75 3kwc s GLU 19 Cb -0.38 -2.02 -0.12 0.00 0.10 0.00 0.00 34.13 31.71 3kwc s GLU 19 CO 0.49 0.37 1.58 -2.30 0.02 0.00 0.00 175.26 175.43 3kwc n PRO 20 N -0.51 2.56 -3.38 0.39 -0.02 -0.78 -4.41 135.00 128.85 3kwc n PRO 20 Ca -0.07 0.91 -0.43 0.00 -2.02 0.00 0.00 63.50 61.89 3kwc n PRO 20 Cb 0.58 -2.68 -0.09 0.00 -0.02 0.00 0.00 33.50 31.29 3kwc n PRO 20 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3kwc s GLU 21 N -0.08 3.05 -0.15 -0.52 2.02 -0.23 -4.93 118.70 117.85 3kwc s GLU 21 Ca 0.68 -0.86 -0.01 0.00 0.02 0.00 0.00 54.97 54.79 3kwc s GLU 21 Cb -0.54 -3.97 -0.01 0.00 0.10 0.00 0.00 34.13 29.71 3kwc s GLU 21 CO 0.45 -0.81 -0.11 0.42 0.02 0.00 0.00 175.26 175.23 3kwc s ILE 22 N 1.95 3.15 0.47 -1.63 1.01 -1.26 -0.22 121.20 124.66 3kwc s ILE 22 Ca 0.09 -0.61 -0.24 0.00 0.00 0.00 0.00 60.65 59.89 3kwc s ILE 22 Cb -0.18 -2.35 -0.07 0.00 0.01 0.00 0.00 42.46 39.87 3kwc s ILE 22 CO 0.12 0.50 1.35 0.00 0.00 0.00 0.00 174.94 176.91 3kwc s ALA 23 N 0.58 3.09 0.06 9.38 0.00 -0.48 -4.90 121.76 129.49 3kwc s ALA 23 Ca -0.07 1.31 0.33 0.00 0.00 0.00 0.00 51.96 53.53 3kwc s ALA 23 Cb -0.15 -3.53 1.46 0.00 0.00 0.00 0.00 23.12 20.89 3kwc s ALA 23 CO 0.03 -1.09 1.98 -1.00 0.00 0.00 0.00 175.76 175.68 3kwc h PRO 24 N 2.13 0.00 0.00 0.00 0.13 -1.93 -2.29 132.00 130.03 3kwc h PRO 24 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3kwc h PRO 24 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3kwc h PRO 24 CO 0.60 0.00 -0.16 0.25 -0.23 0.00 0.00 178.00 178.47 3kwc n THR 25 N -2.88 0.12 -2.62 1.56 -2.24 -1.26 -4.88 114.28 102.08 3kwc n THR 25 Ca 0.00 -0.06 -0.31 0.00 -2.27 0.00 0.00 64.05 61.41 3kwc n THR 25 Cb 0.24 -0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 3kwc n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kwc s ALA 26 N -3.03 3.19 -0.14 6.98 0.00 -0.86 -3.75 121.76 124.15 3kwc s ALA 26 Ca 0.12 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.12 3kwc s ALA 26 Cb 0.17 -2.94 0.02 0.00 0.00 0.00 0.00 23.12 20.37 3kwc s ALA 26 CO 0.59 -0.12 -0.17 -0.47 0.00 0.00 0.00 175.76 175.60 3kwc s TYR 27 N -2.49 2.28 -0.19 0.00 5.04 -0.35 -4.93 117.35 116.70 3kwc s TYR 27 Ca 0.56 -1.22 -0.03 0.00 -2.44 0.00 0.00 57.07 53.94 3kwc s TYR 27 Cb -0.10 -1.63 -0.01 0.00 0.35 0.00 0.00 41.96 40.57 3kwc s TYR 27 CO 0.30 -0.62 -0.07 0.08 -1.34 0.00 0.00 175.55 173.91 3kwc s VAL 28 N 1.20 3.35 0.42 3.14 1.01 -1.26 -1.39 120.40 126.86 3kwc s VAL 28 Ca -0.00 -0.52 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 3kwc s VAL 28 Cb -0.14 -2.49 -0.08 0.00 0.00 0.00 0.00 36.38 33.68 3kwc s VAL 28 CO -0.07 0.46 1.21 -1.00 0.00 0.00 0.00 175.10 175.70 3kwc s HIS 29 N 1.05 2.93 0.26 5.22 0.09 -0.47 -4.94 115.29 119.42 3kwc s HIS 29 Ca 0.00 1.51 -0.03 0.00 -0.00 0.00 0.00 55.06 56.55 3kwc s HIS 29 Cb -0.15 -3.47 0.44 0.00 -0.00 0.00 0.00 32.58 29.41 3kwc s HIS 29 CO -0.00 -1.61 1.82 0.77 -0.00 0.00 0.00 174.74 175.72 3kwc h SER 30 N 2.45 0.76 -0.66 1.40 0.02 -1.96 -3.33 113.55 112.24 3kwc h SER 30 Ca -0.49 0.05 -0.69 0.00 -0.84 0.00 0.00 61.79 59.81 3kwc h SER 30 Cb 1.24 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 63.61 3kwc h SER 30 CO 0.62 0.42 2.46 0.33 -1.14 0.00 0.00 176.83 179.52 3kwc n PHE 31 N -4.70 4.29 -3.59 3.45 7.35 -1.26 -4.41 117.46 118.59 3kwc n PHE 31 Ca 0.15 -2.90 -0.06 0.00 -0.76 0.00 0.00 57.45 53.88 3kwc n PHE 31 Cb 0.30 -2.58 -0.02 0.00 0.35 0.00 0.00 39.48 37.53 3kwc n PHE 31 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3kwc s SER 32 N 3.78 -0.26 -0.07 -2.13 1.04 -1.25 0.04 113.70 114.84 3kwc s SER 32 Ca 0.51 -0.12 -0.01 0.00 0.48 0.00 0.00 55.95 56.81 3kwc s SER 32 Cb 0.07 0.37 0.03 0.00 0.10 0.00 0.00 66.02 66.58 3kwc s SER 32 CO 0.02 -0.63 -0.02 0.21 0.98 0.00 0.00 173.24 173.80 3kwc s ASN 33 N -2.61 1.57 -0.19 7.02 2.47 -0.22 -4.45 114.94 118.53 3kwc s ASN 33 Ca 0.08 -0.14 0.01 0.00 0.42 0.00 0.00 52.86 53.24 3kwc s ASN 33 Cb -0.01 -0.52 0.03 0.00 -1.45 0.00 0.00 41.25 39.30 3kwc s ASN 33 CO -0.05 -0.15 -0.15 -0.76 -3.72 0.00 0.00 177.10 172.27 3kwc s LEU 34 N 1.69 2.26 -0.10 3.21 1.02 -0.66 -1.07 118.68 125.03 3kwc s LEU 34 Ca 0.01 -0.77 0.04 0.00 0.02 0.00 0.00 54.13 53.43 3kwc s LEU 34 Cb -0.13 -1.37 0.00 0.00 0.02 0.00 0.00 46.19 44.71 3kwc s LEU 34 CO -0.05 -0.07 -0.23 -0.63 0.02 0.00 0.00 176.35 175.40 3kwc s ILE 35 N 1.33 1.99 0.00 -0.59 1.01 -0.14 -0.81 121.20 123.98 3kwc s ILE 35 Ca 0.02 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.69 3kwc s ILE 35 Cb -0.15 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.59 3kwc s ILE 35 CO -0.10 0.54 0.00 0.61 0.00 0.00 0.00 174.94 175.99 3kwc n GLY 36 N 3.63 -1.80 3.42 6.18 0.00 -0.77 -0.39 105.19 115.46 3kwc n GLY 36 Ca -0.19 -1.83 -0.37 0.00 0.00 0.00 0.00 46.02 43.63 3kwc n GLY 36 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kwc n ASP 37 N 0.12 3.70 -4.31 1.61 4.64 -1.25 -1.86 116.55 119.20 3kwc n ASP 37 Ca 0.00 -2.78 -0.36 0.00 -1.38 0.00 0.00 54.79 50.27 3kwc n ASP 37 Cb 0.00 -1.64 -0.13 0.00 -1.04 0.00 0.00 41.12 38.30 3kwc n ASP 37 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3kwc s VAL 38 N 7.11 3.56 -0.44 5.18 1.01 -1.26 -1.98 120.40 133.58 3kwc s VAL 38 Ca 0.60 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 3kwc s VAL 38 Cb 0.05 -2.73 0.08 0.00 0.00 0.00 0.00 36.38 33.77 3kwc s VAL 38 CO 0.09 0.26 0.31 -0.13 0.00 0.00 0.00 175.10 175.64 3kwc s ARG 39 N 1.47 2.74 -0.34 2.72 0.52 -0.61 -1.07 118.95 124.38 3kwc s ARG 39 Ca 0.04 -1.43 -0.07 0.00 -0.52 0.00 0.00 55.73 53.74 3kwc s ARG 39 Cb -0.16 -3.91 0.03 0.00 0.52 0.00 0.00 34.95 31.43 3kwc s ARG 39 CO -0.01 -0.99 0.12 0.42 0.02 0.00 0.00 175.30 174.86 3kwc s ILE 40 N 1.50 4.00 0.33 1.52 1.01 0.69 -1.56 121.20 128.70 3kwc s ILE 40 Ca 0.03 -0.97 -0.05 0.00 0.00 0.00 0.00 60.65 59.67 3kwc s ILE 40 Cb -0.24 -3.21 0.07 0.00 0.01 0.00 0.00 42.46 39.10 3kwc s ILE 40 CO 0.04 -0.13 0.45 0.29 0.00 0.00 0.00 174.94 175.59 3kwc n LYS 41 N 4.86 -0.29 -1.69 2.79 4.76 -0.88 -1.38 118.16 126.34 3kwc n LYS 41 Ca -0.13 -0.79 -0.41 0.00 -2.87 0.00 0.00 58.31 54.11 3kwc n LYS 41 Cb 0.46 -0.44 0.01 0.00 -1.84 0.00 0.00 35.03 33.22 3kwc n LYS 41 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3kwc n ASP 42 N -3.24 2.40 -3.08 4.39 8.00 -1.26 -3.72 116.55 120.05 3kwc n ASP 42 Ca 0.06 1.11 -0.23 0.00 0.71 0.00 0.00 54.79 56.44 3kwc n ASP 42 Cb 0.21 -1.48 0.04 0.00 -0.02 0.00 0.00 41.12 39.87 3kwc n ASP 42 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3kwc n TYR 43 N -0.19 -2.03 -3.24 1.24 4.01 -1.25 -1.10 117.16 114.61 3kwc n TYR 43 Ca 0.07 0.56 -0.39 0.00 -0.16 0.00 0.00 57.90 57.98 3kwc n TYR 43 Cb 0.39 -4.48 -0.06 0.00 -0.31 0.00 0.00 39.34 34.88 3kwc n TYR 43 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3kwc s VAL 44 N -3.18 4.83 -0.29 -0.72 1.01 -1.24 -3.37 120.40 117.43 3kwc s VAL 44 Ca 0.33 1.23 -0.03 0.00 0.00 0.00 0.00 61.98 63.50 3kwc s VAL 44 Cb -0.15 -3.91 0.03 0.00 0.00 0.00 0.00 36.38 32.35 3kwc s VAL 44 CO 0.41 0.48 0.01 -2.28 0.00 0.00 0.00 175.10 173.72 3kwc s HIS 45 N -0.63 3.18 -0.31 5.22 2.46 -1.04 -1.22 115.29 122.95 3kwc s HIS 45 Ca 0.30 -1.55 -0.06 0.00 0.47 0.00 0.00 55.06 54.22 3kwc s HIS 45 Cb -0.19 -2.14 0.03 0.00 -0.13 0.00 0.00 32.58 30.15 3kwc s HIS 45 CO 0.18 -0.73 0.07 0.42 -2.47 0.00 0.00 174.74 172.21 3kwc s ILE 46 N 1.34 3.71 0.76 0.89 1.01 -0.49 -0.63 121.20 127.78 3kwc s ILE 46 Ca -0.02 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 59.58 3kwc s ILE 46 Cb -0.18 -3.00 0.09 0.00 0.01 0.00 0.00 42.46 39.37 3kwc s ILE 46 CO -0.01 -0.03 1.09 0.00 0.00 0.00 0.00 174.94 175.99 3kwc s ALA 47 N 1.42 2.97 0.59 9.38 0.00 0.46 -1.37 121.76 135.22 3kwc s ALA 47 Ca -0.00 -0.97 -0.19 0.00 0.00 0.00 0.00 51.96 50.80 3kwc s ALA 47 Cb -0.18 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 3kwc s ALA 47 CO 0.02 -1.54 1.21 -2.14 0.00 0.00 0.00 175.76 173.30 3kwc s PRO 48 N -5.39 2.98 0.00 0.00 0.02 -1.26 -3.65 135.00 127.70 3kwc s PRO 48 Ca 0.63 1.82 0.00 0.00 0.02 0.00 0.00 61.00 63.47 3kwc s PRO 48 Cb -0.09 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.50 3kwc s PRO 48 CO 0.47 -1.20 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 3kwc n GLY 49 N 0.50 0.79 3.78 0.52 0.00 0.11 -2.37 105.19 108.52 3kwc n GLY 49 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3kwc n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kwc s THR 50 N -3.02 4.41 -0.25 2.61 -4.23 -1.24 -3.73 115.64 110.19 3kwc s THR 50 Ca 0.00 1.64 0.02 0.00 -1.18 0.00 0.00 61.69 62.17 3kwc s THR 50 Cb 0.00 -4.10 0.06 0.00 1.34 0.00 0.00 72.50 69.80 3kwc s THR 50 CO 0.00 0.50 -0.07 -0.55 -0.54 0.00 0.00 174.62 173.96 3kwc s SER 51 N -1.18 4.16 -0.31 3.99 0.15 -0.67 -1.06 113.70 118.78 3kwc s SER 51 Ca 0.36 -1.33 -0.06 0.00 0.70 0.00 0.00 55.95 55.61 3kwc s SER 51 Cb -0.22 -1.36 0.03 0.00 -1.71 0.00 0.00 66.02 62.76 3kwc s SER 51 CO 0.25 -0.23 0.07 -0.63 1.20 0.00 0.00 173.24 173.91 3kwc s ILE 52 N 1.25 3.72 -0.28 6.45 1.01 -0.23 -1.74 121.20 131.38 3kwc s ILE 52 Ca -0.06 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.63 3kwc s ILE 52 Cb -0.19 -3.02 0.08 0.00 0.01 0.00 0.00 42.46 39.34 3kwc s ILE 52 CO -0.06 -0.04 0.04 -0.60 0.00 0.00 0.00 174.94 174.28 3kwc s ARG 53 N 1.42 1.14 -0.91 2.79 3.52 -0.45 -0.97 118.95 125.50 3kwc s ARG 53 Ca -0.00 -1.15 -0.00 0.00 -0.13 0.00 0.00 55.73 54.45 3kwc s ARG 53 Cb -0.18 -2.43 0.33 0.00 -1.56 0.00 0.00 34.95 31.11 3kwc s ARG 53 CO 0.02 -0.83 1.70 0.00 -0.81 0.00 0.00 175.30 175.38 3kwc n ALA 54 N 4.69 5.90 -0.02 6.12 0.00 0.47 -4.44 120.51 133.24 3kwc n ALA 54 Ca -0.04 -4.54 0.05 0.00 0.00 0.00 0.00 53.44 48.91 3kwc n ALA 54 Cb 0.43 -1.88 -0.11 0.00 0.00 0.00 0.00 19.45 17.89 3kwc n ALA 54 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kwc n ASP 55 N -0.18 1.64 0.00 0.00 3.85 -1.26 -4.17 116.55 116.44 3kwc n ASP 55 Ca 0.45 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.53 3kwc n ASP 55 Cb 0.29 1.54 0.00 0.00 -1.35 0.00 0.00 41.12 41.60 3kwc n ASP 55 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3kwc n GLU 56 N -2.09 0.00 -2.17 0.11 1.02 -1.26 -4.90 120.64 111.35 3kwc n GLU 56 Ca -0.06 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.68 3kwc n GLU 56 Cb 0.47 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.86 3kwc n GLU 56 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3kwc s GLY 57 N -0.19 2.89 -0.12 0.62 0.00 -0.75 -4.60 107.32 105.16 3kwc s GLY 57 Ca 0.00 1.19 -0.30 0.00 0.00 0.00 0.00 44.72 45.61 3kwc s GLY 57 CO 0.00 1.90 0.92 -1.08 0.00 0.00 0.00 173.10 174.84 3kwc s THR 58 N -0.90 0.00 0.70 0.90 -1.32 -1.26 -4.56 115.64 109.20 3kwc s THR 58 Ca 0.50 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.90 3kwc s THR 58 Cb -0.38 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.65 3kwc s THR 58 CO 0.49 0.00 1.03 -2.16 -2.21 0.00 0.00 174.62 171.76 3kwc s PRO 59 N -1.27 2.40 -0.02 7.08 0.04 -1.26 -4.13 135.00 137.84 3kwc s PRO 59 Ca -0.03 -0.05 0.01 0.00 0.04 0.00 0.00 61.00 60.96 3kwc s PRO 59 Cb -0.00 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 3kwc s PRO 59 CO 0.03 -1.15 -0.00 -0.06 0.04 0.00 0.00 177.00 175.85 3kwc s PHE 60 N -3.26 3.08 -0.09 0.56 0.08 -0.84 -0.52 117.98 116.99 3kwc s PHE 60 Ca 0.59 0.09 0.04 0.00 0.12 0.00 0.00 56.93 57.77 3kwc s PHE 60 Cb -0.11 -1.69 -0.00 0.00 -0.57 0.00 0.00 43.02 40.65 3kwc s PHE 60 CO 0.46 0.45 -0.24 -1.58 -0.10 0.00 0.00 175.22 174.22 3kwc s HIS 61 N -1.04 2.55 -0.16 0.36 5.65 0.66 -1.58 115.29 121.73 3kwc s HIS 61 Ca 0.18 -0.97 0.00 0.00 0.25 0.00 0.00 55.06 54.52 3kwc s HIS 61 Cb -0.11 -1.69 0.03 0.00 -1.18 0.00 0.00 32.58 29.62 3kwc s HIS 61 CO 0.09 -0.37 -0.11 0.42 -0.65 0.00 0.00 174.74 174.11 3kwc s ILE 62 N 0.24 1.44 0.97 0.89 1.01 -0.60 -0.61 121.20 124.54 3kwc s ILE 62 Ca -0.16 -0.66 -0.16 0.00 0.00 0.00 0.00 60.65 59.68 3kwc s ILE 62 Cb -0.17 -1.44 0.19 0.00 0.01 0.00 0.00 42.46 41.05 3kwc s ILE 62 CO 0.08 0.34 1.26 -0.83 0.00 0.00 0.00 174.94 175.79 3kwc s GLY 63 N 1.52 1.72 0.39 6.18 0.00 -0.43 -2.07 107.32 114.63 3kwc s GLY 63 Ca 0.03 -1.04 -0.25 0.00 0.00 0.00 0.00 44.72 43.45 3kwc s GLY 63 CO -0.09 -0.32 1.14 -1.35 0.00 0.00 0.00 173.10 172.48 3kwc s SER 64 N -4.67 6.63 -1.98 1.64 1.04 -1.26 -3.24 113.70 111.87 3kwc s SER 64 Ca 0.71 2.28 0.00 0.00 0.48 0.00 0.00 55.95 59.42 3kwc s SER 64 Cb -0.06 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.45 3kwc s SER 64 CO 0.53 -0.59 0.00 0.54 0.98 0.00 0.00 173.24 174.70 3kwc n ARG 65 N 0.15 -1.37 -3.36 4.02 1.74 -0.26 -0.85 116.66 116.73 3kwc n ARG 65 Ca 0.04 1.14 -0.37 0.00 -0.77 0.00 0.00 57.85 57.89 3kwc n ARG 65 Cb 0.47 -5.49 -0.06 0.00 -1.02 0.00 0.00 32.46 26.35 3kwc n ARG 65 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3kwc s THR 66 N -2.75 4.85 -0.02 0.55 2.01 -1.20 -4.09 115.64 115.00 3kwc s THR 66 Ca 0.00 1.00 0.05 0.00 0.31 0.00 0.00 61.69 63.04 3kwc s THR 66 Cb 0.00 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 3kwc s THR 66 CO 0.00 0.47 -0.16 0.54 -0.69 0.00 0.00 174.62 174.79 3kwc s ASN 67 N -1.28 3.93 -0.25 3.53 2.20 -0.24 -2.49 114.94 120.34 3kwc s ASN 67 Ca 0.30 -0.27 0.02 0.00 -0.94 0.00 0.00 52.86 51.97 3kwc s ASN 67 Cb -0.17 -0.76 0.06 0.00 -2.00 0.00 0.00 41.25 38.37 3kwc s ASN 67 CO 0.18 0.32 -0.09 -0.63 -2.94 0.00 0.00 177.10 173.94 3kwc s ILE 68 N -0.79 1.91 0.27 0.54 -1.09 0.19 -1.17 121.20 121.07 3kwc s ILE 68 Ca 0.12 -1.46 -0.01 0.00 -2.23 0.00 0.00 60.65 57.07 3kwc s ILE 68 Cb -0.11 -2.08 0.06 0.00 -1.58 0.00 0.00 42.46 38.75 3kwc s ILE 68 CO 0.02 -0.05 0.37 0.00 -1.23 0.00 0.00 174.94 174.05 3kwc n GLN 69 N 4.53 0.22 -1.80 2.79 6.02 -0.43 -0.40 117.38 128.31 3kwc n GLN 69 Ca -0.13 -0.91 -0.42 0.00 -0.01 0.00 0.00 57.00 55.53 3kwc n GLN 69 Cb 0.43 -0.27 -0.02 0.00 1.02 0.00 0.00 30.24 31.40 3kwc n GLN 69 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kwc s ASP 70 N -2.46 6.41 -1.05 1.08 1.11 -1.26 -3.13 116.67 117.36 3kwc s ASP 70 Ca 0.24 2.89 0.00 0.00 0.18 0.00 0.00 52.55 55.86 3kwc s ASP 70 Cb -0.01 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.35 3kwc s ASP 70 CO 0.16 -0.90 0.00 0.61 1.18 0.00 0.00 175.17 176.22 3kwc n GLY 71 N 2.54 1.09 3.77 0.21 0.00 -1.00 -0.40 105.19 111.41 3kwc n GLY 71 Ca 0.10 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 3kwc n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kwc s VAL 72 N -2.21 3.37 -0.06 1.61 1.01 -1.19 -4.37 120.40 118.56 3kwc s VAL 72 Ca 0.00 1.09 0.06 0.00 0.00 0.00 0.00 61.98 63.12 3kwc s VAL 72 Cb 0.00 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 3kwc s VAL 72 CO 0.00 0.04 -0.24 -0.69 0.00 0.00 0.00 175.10 174.21 3kwc s VAL 73 N -1.53 1.97 -0.10 2.92 1.01 -0.86 -1.66 120.40 122.15 3kwc s VAL 73 Ca 0.59 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3kwc s VAL 73 Cb -0.27 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.46 3kwc s VAL 73 CO 0.33 0.55 -0.10 -0.63 0.00 0.00 0.00 175.10 175.26 3kwc s ILE 74 N -0.14 1.09 0.24 2.22 1.01 -0.71 -1.67 121.20 123.25 3kwc s ILE 74 Ca -0.04 -0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.13 3kwc s ILE 74 Cb -0.13 -1.06 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 3kwc s ILE 74 CO 0.03 0.37 0.43 -2.28 0.00 0.00 0.00 174.94 173.49 3kwc s HIS 75 N 1.32 0.51 -0.02 3.97 2.46 -1.09 -1.34 115.29 121.11 3kwc s HIS 75 Ca -0.02 -0.84 -0.17 0.00 0.47 0.00 0.00 55.06 54.50 3kwc s HIS 75 Cb -0.14 0.07 0.03 0.00 -0.13 0.00 0.00 32.58 32.41 3kwc s HIS 75 CO -0.04 -0.95 0.35 0.20 -2.47 0.00 0.00 174.74 171.83 3kwc s GLY 76 N -3.05 -0.20 0.41 1.59 0.00 -1.26 -0.32 107.32 104.49 3kwc s GLY 76 Ca 0.25 0.43 -0.25 0.00 0.00 0.00 0.00 44.72 45.14 3kwc s GLY 76 CO 0.10 0.20 1.24 1.08 0.00 0.00 0.00 173.10 175.72 3kwc s LEU 77 N -1.33 4.19 0.17 0.66 1.43 -0.89 -1.82 118.68 121.10 3kwc s LEU 77 Ca -0.13 2.51 -0.13 0.00 -1.03 0.00 0.00 54.13 55.34 3kwc s LEU 77 Cb -0.05 -3.97 0.07 0.00 0.03 0.00 0.00 46.19 42.27 3kwc s LEU 77 CO 0.05 -0.79 1.78 -0.61 0.23 0.00 0.00 176.35 177.01 3kwc h GLN 78 N 2.62 0.80 -5.63 1.70 -0.00 -1.93 -3.20 115.11 109.47 3kwc h GLN 78 Ca -0.49 -0.10 -0.62 0.00 -0.00 0.00 0.00 58.65 57.44 3kwc h GLN 78 Cb 1.24 -0.16 -0.08 0.00 0.00 0.00 0.00 27.48 28.48 3kwc h GLN 78 CO 0.62 0.62 -0.36 -0.65 0.00 0.00 0.00 178.83 179.07 3kwc s GLN 79 N -5.83 3.94 0.00 1.69 -1.52 -1.26 -4.58 119.66 112.09 3kwc s GLN 79 Ca -0.13 0.07 0.00 0.00 -1.95 0.00 0.00 55.36 53.35 3kwc s GLN 79 Cb 0.13 -3.31 0.00 0.00 -0.22 0.00 0.00 33.01 29.61 3kwc s GLN 79 CO 0.77 0.51 0.00 0.41 -0.25 0.00 0.00 175.29 176.73 3kwc n GLY 80 N 2.63 3.06 3.10 3.09 0.00 -1.26 -4.85 105.19 110.96 3kwc n GLY 80 Ca -0.15 -1.20 -0.08 0.00 0.00 0.00 0.00 46.02 44.59 3kwc n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kwc s ARG 81 N -4.95 0.63 0.30 1.61 1.81 -1.26 -4.47 118.95 112.61 3kwc s ARG 81 Ca 0.00 -1.20 0.10 0.00 -1.72 0.00 0.00 55.73 52.91 3kwc s ARG 81 Cb 0.00 0.13 -0.05 0.00 -0.45 0.00 0.00 34.95 34.58 3kwc s ARG 81 CO 0.00 -0.09 -0.03 0.14 -0.68 0.00 0.00 175.30 174.64 3kwc s VAL 82 N -3.71 2.95 -0.42 3.52 -7.23 -0.32 -4.93 120.40 110.26 3kwc s VAL 82 Ca 0.06 -2.02 -0.20 0.00 -1.81 0.00 0.00 61.98 58.02 3kwc s VAL 82 Cb 0.06 -2.73 0.02 0.00 0.56 0.00 0.00 36.38 34.29 3kwc s VAL 82 CO -0.08 -0.31 0.59 -0.63 -0.31 0.00 0.00 175.10 174.35 3kwc s ILE 83 N -2.43 4.91 0.96 -0.62 -1.09 -1.26 -1.42 121.20 120.24 3kwc s ILE 83 Ca 0.33 0.10 -0.11 0.00 -2.23 0.00 0.00 60.65 58.73 3kwc s ILE 83 Cb -0.04 -4.13 0.17 0.00 -1.58 0.00 0.00 42.46 36.88 3kwc s ILE 83 CO 0.19 -0.49 1.10 -0.83 -1.23 0.00 0.00 174.94 173.68 3kwc s GLY 84 N 1.92 1.63 0.23 6.18 0.00 -0.39 -4.91 107.32 111.97 3kwc s GLY 84 Ca 0.20 0.21 0.19 0.00 0.00 0.00 0.00 44.72 45.32 3kwc s GLY 84 CO 0.17 0.72 1.57 1.22 0.00 0.00 0.00 173.10 176.78 3kwc n ASP 85 N -4.25 0.47 -0.36 1.64 10.43 -1.26 -1.76 116.55 121.46 3kwc n ASP 85 Ca 0.08 0.67 0.14 0.00 2.57 0.00 0.00 54.79 58.25 3kwc n ASP 85 Cb 0.53 -0.75 0.51 0.00 1.84 0.00 0.00 41.12 43.25 3kwc n ASP 85 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 3kwc n ASP 86 N -2.08 1.21 0.00 -2.24 5.68 -1.26 -4.95 116.55 112.91 3kwc n ASP 86 Ca 0.00 -1.23 0.00 0.00 -0.50 0.00 0.00 54.79 53.07 3kwc n ASP 86 Cb 0.11 0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 3kwc n ASP 86 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kwc n GLY 87 N 1.22 1.98 3.92 6.12 0.00 -0.72 -5.07 105.19 112.64 3kwc n GLY 87 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 3kwc n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kwc s GLN 88 N -0.69 3.10 -0.01 1.61 -1.52 -1.26 -4.81 119.66 116.08 3kwc s GLN 88 Ca 0.00 -0.02 -0.17 0.00 -1.95 0.00 0.00 55.36 53.22 3kwc s GLN 88 Cb 0.00 -2.34 -0.06 0.00 -0.22 0.00 0.00 33.01 30.40 3kwc s GLN 88 CO 0.00 -0.51 0.48 -1.21 -0.25 0.00 0.00 175.29 173.80 3kwc s GLU 89 N -4.87 4.13 0.05 2.91 2.02 -1.26 -1.27 118.70 120.42 3kwc s GLU 89 Ca 0.51 0.53 0.06 0.00 0.02 0.00 0.00 54.97 56.09 3kwc s GLU 89 Cb -0.10 -3.29 -0.02 0.00 0.10 0.00 0.00 34.13 30.81 3kwc s GLU 89 CO 0.44 0.51 -0.16 0.71 0.02 0.00 0.00 175.26 176.78 3kwc s TYR 90 N -0.57 1.39 0.04 1.61 1.51 -0.51 -4.48 117.35 116.35 3kwc s TYR 90 Ca 0.26 -0.37 -0.21 0.00 -1.01 0.00 0.00 57.07 55.74 3kwc s TYR 90 Cb -0.17 -0.82 -0.14 0.00 -0.11 0.00 0.00 41.96 40.72 3kwc s TYR 90 CO 0.14 0.06 1.37 1.03 -1.11 0.00 0.00 175.55 177.05 3kwc h SER 91 N 4.77 0.35 -3.32 2.29 0.87 -0.96 -0.85 113.55 116.71 3kwc h SER 91 Ca -0.40 -0.44 -0.47 0.00 -1.23 0.00 0.00 61.79 59.25 3kwc h SER 91 Cb 1.18 -0.10 -0.36 0.00 -0.44 0.00 0.00 62.40 62.68 3kwc h SER 91 CO 0.43 0.72 -0.79 -0.69 -0.53 0.00 0.00 176.83 175.97 3kwc s VAL 92 N -4.44 0.74 -0.24 2.23 1.01 -1.17 -2.42 120.40 116.11 3kwc s VAL 92 Ca -0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 3kwc s VAL 92 Cb 0.05 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.68 3kwc s VAL 92 CO 0.74 0.30 -0.09 0.86 0.00 0.00 0.00 175.10 176.91 3kwc s TRP 93 N 1.38 3.06 -0.13 5.22 -0.11 -0.27 -0.25 118.94 127.84 3kwc s TRP 93 Ca -0.03 -1.70 0.00 0.00 1.22 0.00 0.00 56.10 55.59 3kwc s TRP 93 Cb -0.13 -2.02 -0.01 0.00 -1.50 0.00 0.00 33.47 29.80 3kwc s TRP 93 CO -0.03 -0.77 -0.14 0.42 -4.62 0.00 0.00 176.95 171.81 3kwc s ILE 94 N 1.28 2.97 0.00 5.86 1.01 0.22 -0.79 121.20 131.74 3kwc s ILE 94 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.95 3kwc s ILE 94 Cb -0.17 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.06 3kwc s ILE 94 CO -0.06 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.02 3kwc n GLY 95 N 3.54 -1.06 3.82 6.18 0.00 -0.47 -1.31 105.19 115.89 3kwc n GLY 95 Ca -0.18 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 43.86 3kwc n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kwc s ASP 96 N -1.04 7.01 -1.42 1.61 -0.00 -1.26 -2.86 116.67 118.71 3kwc s ASP 96 Ca 0.00 1.51 -0.08 0.00 -0.00 0.00 0.00 52.55 53.98 3kwc s ASP 96 Cb 0.00 -2.46 0.04 0.00 -0.00 0.00 0.00 42.92 40.50 3kwc s ASP 96 CO 0.00 -0.12 0.95 0.59 -0.00 0.00 0.00 175.17 176.59 3kwc n ASN 97 N 0.14 -3.92 -4.80 0.27 3.02 -0.03 -0.91 115.26 109.04 3kwc n ASN 97 Ca 0.02 -0.73 -0.36 0.00 -0.03 0.00 0.00 54.58 53.47 3kwc n ASN 97 Cb 0.52 -4.24 -0.07 0.00 -0.61 0.00 0.00 39.78 35.38 3kwc n ASN 97 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kwc s VAL 98 N -3.41 5.09 -0.32 2.41 1.01 -1.26 -3.24 120.40 120.68 3kwc s VAL 98 Ca 0.42 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.37 3kwc s VAL 98 Cb -0.20 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 32.98 3kwc s VAL 98 CO 0.80 0.60 0.13 -0.44 0.00 0.00 0.00 175.10 176.19 3kwc s SER 99 N -0.85 5.39 -0.61 3.32 0.01 -0.62 -1.08 113.70 119.27 3kwc s SER 99 Ca 0.13 -0.70 -0.16 0.00 1.31 0.00 0.00 55.95 56.54 3kwc s SER 99 Cb -0.12 -1.95 0.15 0.00 0.21 0.00 0.00 66.02 64.32 3kwc s SER 99 CO 0.03 -0.23 0.57 -0.63 0.41 0.00 0.00 173.24 173.39 3kwc s ILE 100 N 1.55 5.31 0.82 1.44 -1.09 -0.32 -1.11 121.20 127.80 3kwc s ILE 100 Ca 0.03 -1.74 -0.08 0.00 -2.23 0.00 0.00 60.65 56.62 3kwc s ILE 100 Cb -0.18 -4.37 0.18 0.00 -1.58 0.00 0.00 42.46 36.51 3kwc s ILE 100 CO 0.05 -0.91 1.12 0.35 -1.23 0.00 0.00 174.94 174.32 3kwc n THR 101 N 4.93 0.00 -1.66 2.92 -2.24 -0.65 -1.32 114.28 116.26 3kwc n THR 101 Ca -0.07 -1.21 -0.63 0.00 -2.27 0.00 0.00 64.05 59.87 3kwc n THR 101 Cb 0.42 -1.24 -0.09 0.00 -2.10 0.00 0.00 70.33 67.32 3kwc n THR 101 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3kwc n HIS 102 N -3.30 1.40 -1.56 4.78 8.25 -1.26 -1.59 115.22 121.94 3kwc n HIS 102 Ca 0.16 1.04 -0.18 0.00 -0.26 0.00 0.00 57.72 58.48 3kwc n HIS 102 Cb 0.56 -2.21 -0.07 0.00 1.12 0.00 0.00 29.99 29.39 3kwc n HIS 102 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3kwc n MET 103 N 3.21 -1.25 -2.01 -0.41 2.81 0.47 -1.04 117.12 118.90 3kwc n MET 103 Ca 0.26 1.12 -0.33 0.00 -1.81 0.00 0.00 57.70 56.94 3kwc n MET 103 Cb 0.02 -5.38 0.01 0.00 -0.71 0.00 0.00 33.22 27.16 3kwc n MET 103 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kwc s ALA 104 N -2.67 2.72 -0.16 3.04 0.00 -0.62 -4.10 121.76 119.97 3kwc s ALA 104 Ca 0.00 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.36 3kwc s ALA 104 Cb 0.00 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.90 3kwc s ALA 104 CO 0.00 -0.86 -0.19 -1.17 0.00 0.00 0.00 175.76 173.54 3kwc s LEU 105 N -4.57 2.04 -0.24 0.00 2.96 -0.44 -2.03 118.68 116.41 3kwc s LEU 105 Ca 0.64 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 3kwc s LEU 105 Cb -0.16 -1.40 0.04 0.00 0.50 0.00 0.00 46.19 45.17 3kwc s LEU 105 CO 0.38 0.02 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.67 3kwc s ILE 106 N 1.16 2.27 -0.22 6.68 -1.09 -0.67 -1.09 121.20 128.25 3kwc s ILE 106 Ca 0.01 -1.35 0.02 0.00 -2.23 0.00 0.00 60.65 57.10 3kwc s ILE 106 Cb -0.14 -2.21 0.04 0.00 -1.58 0.00 0.00 42.46 38.57 3kwc s ILE 106 CO -0.09 0.16 -0.15 -2.28 -1.23 0.00 0.00 174.94 171.34 3kwc s HIS 107 N 1.19 2.97 0.58 3.97 2.46 -0.18 -2.66 115.29 123.62 3kwc s HIS 107 Ca -0.04 -1.94 -0.20 0.00 0.47 0.00 0.00 55.06 53.35 3kwc s HIS 107 Cb -0.18 -1.90 -0.04 0.00 -0.13 0.00 0.00 32.58 30.33 3kwc s HIS 107 CO -0.07 -0.84 1.27 0.41 -2.47 0.00 0.00 174.74 173.04 3kwc n GLY 108 N 4.54 0.50 3.74 1.59 0.00 0.56 -3.01 105.19 113.11 3kwc n GLY 108 Ca -0.17 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 3kwc n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kwc s PRO 109 N -2.98 4.54 -0.26 1.61 0.04 -1.26 -2.09 135.00 134.61 3kwc s PRO 109 Ca 0.75 1.78 -0.17 0.00 0.04 0.00 0.00 61.00 63.41 3kwc s PRO 109 Cb -0.41 -3.27 0.07 0.00 0.04 0.00 0.00 34.50 30.93 3kwc s PRO 109 CO 0.46 -0.01 0.64 0.00 0.04 0.00 0.00 177.00 178.13 3kwc s ALA 110 N -0.07 -1.69 -0.14 8.56 0.00 -1.02 -1.77 121.76 125.63 3kwc s ALA 110 Ca 0.51 2.15 0.02 0.00 0.00 0.00 0.00 51.96 54.65 3kwc s ALA 110 Cb -0.31 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.56 3kwc s ALA 110 CO 0.35 -0.35 -0.21 -0.47 0.00 0.00 0.00 175.76 175.08 3kwc s TYR 111 N 1.28 2.68 -0.15 0.00 6.14 -0.96 -1.12 117.35 125.22 3kwc s TYR 111 Ca -0.07 -1.32 0.01 0.00 0.64 0.00 0.00 57.07 56.33 3kwc s TYR 111 Cb -0.05 -1.82 0.02 0.00 0.42 0.00 0.00 41.96 40.52 3kwc s TYR 111 CO -0.14 -0.60 -0.19 0.42 0.64 0.00 0.00 175.55 175.68 3kwc s ILE 112 N 0.82 1.91 0.80 3.14 1.01 0.03 -0.69 121.20 128.21 3kwc s ILE 112 Ca -0.07 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.61 3kwc s ILE 112 Cb -0.15 -1.72 0.09 0.00 0.01 0.00 0.00 42.46 40.68 3kwc s ILE 112 CO -0.02 0.52 1.15 -0.83 0.00 0.00 0.00 174.94 175.76 3kwc s GLY 113 N 1.13 1.63 0.41 6.18 0.00 -0.62 -1.37 107.32 114.69 3kwc s GLY 113 Ca -0.00 -0.78 -0.25 0.00 0.00 0.00 0.00 44.72 43.68 3kwc s GLY 113 CO -0.08 -0.28 1.21 1.22 0.00 0.00 0.00 173.10 175.17 3kwc n ASP 114 N -3.26 2.28 0.00 1.64 10.43 -1.26 -2.84 116.55 123.54 3kwc n ASP 114 Ca 0.09 1.10 0.00 0.00 2.57 0.00 0.00 54.79 58.55 3kwc n ASP 114 Cb 0.61 -1.46 0.00 0.00 1.84 0.00 0.00 41.12 42.10 3kwc n ASP 114 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3kwc n GLY 115 N 0.89 0.30 3.77 0.44 0.00 -0.08 -0.85 105.19 109.65 3kwc n GLY 115 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3kwc n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwc s PHE 117 N -1.51 2.92 -0.33 0.00 5.36 -0.16 -1.58 117.98 122.69 3kwc s PHE 117 Ca 0.65 -0.92 -0.04 0.00 -0.96 0.00 0.00 56.93 55.67 3kwc s PHE 117 Cb -0.31 -2.04 0.05 0.00 -0.34 0.00 0.00 43.02 40.38 3kwc s PHE 117 CO 0.37 -0.49 0.06 0.42 -1.46 0.00 0.00 175.22 174.12 3kwc s ILE 118 N 1.23 3.42 1.07 3.12 -1.09 -0.27 -0.23 121.20 128.45 3kwc s ILE 118 Ca 0.03 -1.28 -0.18 0.00 -2.23 0.00 0.00 60.65 56.99 3kwc s ILE 118 Cb -0.14 -2.97 0.26 0.00 -1.58 0.00 0.00 42.46 38.03 3kwc s ILE 118 CO -0.02 -0.17 1.09 0.61 -1.23 0.00 0.00 174.94 175.22 3kwc n GLY 119 N 4.72 -2.34 3.68 6.18 0.00 0.54 -1.64 105.19 116.33 3kwc n GLY 119 Ca -0.12 -1.56 -0.45 0.00 0.00 0.00 0.00 46.02 43.89 3kwc n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kwc n PHE 120 N -4.38 2.44 -2.37 1.61 0.99 -1.26 -2.66 117.46 111.84 3kwc n PHE 120 Ca 0.15 0.10 -0.17 0.00 -0.00 0.00 0.00 57.45 57.53 3kwc n PHE 120 Cb 0.54 -2.62 -0.00 0.00 -1.00 0.00 0.00 39.48 36.40 3kwc n PHE 120 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 3kwc n ARG 121 N 4.46 -1.58 -4.03 -1.08 0.63 -0.20 -0.72 116.66 114.14 3kwc n ARG 121 Ca 0.18 0.81 -0.31 0.00 -0.92 0.00 0.00 57.85 57.61 3kwc n ARG 121 Cb 0.32 -5.25 -0.06 0.00 0.45 0.00 0.00 32.46 27.92 3kwc n ARG 121 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3kwc s SER 122 N -2.29 5.68 -0.07 6.15 0.01 -1.09 -4.13 113.70 117.97 3kwc s SER 122 Ca 0.02 0.05 0.05 0.00 1.31 0.00 0.00 55.95 57.38 3kwc s SER 122 Cb -0.01 -1.58 -0.00 0.00 0.21 0.00 0.00 66.02 64.64 3kwc s SER 122 CO 0.03 0.18 -0.23 -0.89 0.41 0.00 0.00 173.24 172.73 3kwc s THR 123 N -1.40 1.97 -0.23 1.44 2.01 0.01 -1.33 115.64 118.12 3kwc s THR 123 Ca 0.30 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.33 3kwc s THR 123 Cb -0.12 -1.69 0.05 0.00 0.01 0.00 0.00 72.50 70.75 3kwc s THR 123 CO 0.23 0.54 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.88 3kwc s VAL 124 N 0.10 2.04 -0.04 3.82 1.01 -0.25 -0.99 120.40 126.09 3kwc s VAL 124 Ca -0.11 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 60.55 3kwc s VAL 124 Cb -0.15 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.18 3kwc s VAL 124 CO 0.06 0.16 -0.06 0.12 0.00 0.00 0.00 175.10 175.38 3kwc s PHE 125 N 1.21 0.80 -1.27 5.22 5.36 -0.52 -1.01 117.98 127.77 3kwc s PHE 125 Ca -0.04 -0.22 -0.03 0.00 -0.96 0.00 0.00 56.93 55.69 3kwc s PHE 125 Cb -0.17 -0.66 -0.01 0.00 -0.34 0.00 0.00 43.02 41.83 3kwc s PHE 125 CO -0.08 -0.17 0.74 -1.71 -1.46 0.00 0.00 175.22 172.54 3kwc n ASN 126 N 3.86 -2.00 -3.59 6.13 5.15 -0.73 -2.53 115.26 121.55 3kwc n ASN 126 Ca -0.24 -0.82 -0.16 0.00 -0.60 0.00 0.00 54.58 52.76 3kwc n ASN 126 Cb 0.52 -4.12 -0.07 0.00 -0.53 0.00 0.00 39.78 35.58 3kwc n ASN 126 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kwc s ALA 127 N -3.62 -1.43 -0.16 5.20 0.00 -1.01 -2.26 121.76 118.49 3kwc s ALA 127 Ca 0.08 0.92 -0.06 0.00 0.00 0.00 0.00 51.96 52.90 3kwc s ALA 127 Cb -0.02 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 3kwc s ALA 127 CO 0.81 -0.37 0.04 0.50 0.00 0.00 0.00 175.76 176.74 3kwc s ARG 128 N -1.47 3.73 -0.23 0.00 3.52 -0.97 -2.26 118.95 121.27 3kwc s ARG 128 Ca -0.11 -0.38 -0.00 0.00 -0.13 0.00 0.00 55.73 55.11 3kwc s ARG 128 Cb -0.01 -3.08 0.03 0.00 -1.56 0.00 0.00 34.95 30.32 3kwc s ARG 128 CO 0.06 0.37 -0.11 0.08 -0.81 0.00 0.00 175.30 174.89 3kwc s VAL 129 N 0.09 2.56 0.88 7.11 1.01 0.13 -0.84 120.40 131.34 3kwc s VAL 129 Ca 0.04 -1.04 -0.10 0.00 0.00 0.00 0.00 61.98 60.88 3kwc s VAL 129 Cb -0.13 -2.25 0.13 0.00 0.00 0.00 0.00 36.38 34.13 3kwc s VAL 129 CO 0.01 0.29 1.12 -0.83 0.00 0.00 0.00 175.10 175.70 3kwc s GLY 130 N 1.30 1.67 0.39 4.51 0.00 -0.33 -1.59 107.32 113.28 3kwc s GLY 130 Ca 0.01 0.43 -0.27 0.00 0.00 0.00 0.00 44.72 44.89 3kwc s GLY 130 CO -0.07 0.84 1.35 0.00 0.00 0.00 0.00 173.10 175.23 3kwc n ALA 131 N -4.05 1.67 -1.22 3.20 0.00 -1.26 -3.02 120.51 115.84 3kwc n ALA 131 Ca 0.10 0.31 -0.07 0.00 0.00 0.00 0.00 53.44 53.78 3kwc n ALA 131 Cb 0.53 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.62 3kwc n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kwc n GLY 132 N 0.67 0.95 3.78 0.00 0.00 -0.03 -1.50 105.19 109.06 3kwc n GLY 132 Ca 0.04 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 3kwc n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwc s VAL 134 N -1.60 2.55 -0.23 0.00 1.01 -0.45 -0.99 120.40 120.70 3kwc s VAL 134 Ca 0.56 -2.25 -0.10 0.00 0.00 0.00 0.00 61.98 60.19 3kwc s VAL 134 Cb -0.23 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 3kwc s VAL 134 CO 0.29 -0.61 0.15 -0.69 0.00 0.00 0.00 175.10 174.24 3kwc s VAL 135 N 0.97 5.38 0.00 2.92 1.01 0.68 -1.75 120.40 129.61 3kwc s VAL 135 Ca 0.10 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.26 3kwc s VAL 135 Cb -0.20 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3kwc s VAL 135 CO -0.07 0.38 0.00 0.23 0.00 0.00 0.00 175.10 175.64 3kwc n MET 136 N 4.01 3.46 -3.65 2.72 2.81 -0.78 -0.34 117.12 125.36 3kwc n MET 136 Ca -0.15 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.36 3kwc n MET 136 Cb 0.52 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.97 3kwc n MET 136 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 3kwc s MET 137 N 3.02 3.73 -1.16 0.03 1.00 -1.26 -3.25 119.30 121.41 3kwc s MET 137 Ca 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 55.69 55.85 3kwc s MET 137 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 34.83 31.65 3kwc s MET 137 CO 0.00 0.71 0.99 0.72 0.00 0.00 0.00 175.02 177.43 3kwc n HIS 138 N 1.76 -2.24 -4.52 -0.03 8.25 0.11 -0.39 115.22 118.15 3kwc n HIS 138 Ca -0.15 0.90 -0.33 0.00 -0.26 0.00 0.00 57.72 57.88 3kwc n HIS 138 Cb 0.53 -4.84 -0.11 0.00 1.12 0.00 0.00 29.99 26.69 3kwc n HIS 138 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kwc s VAL 139 N -3.32 3.70 -0.16 1.59 1.01 -1.26 -3.13 120.40 118.82 3kwc s VAL 139 Ca 0.17 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 3kwc s VAL 139 Cb -0.08 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3kwc s VAL 139 CO 0.68 0.48 -0.08 -0.22 0.00 0.00 0.00 175.10 175.96 3kwc s LEU 140 N -1.16 2.89 -0.14 3.92 2.96 -0.53 -0.81 118.68 125.82 3kwc s LEU 140 Ca 0.15 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 3kwc s LEU 140 Cb -0.11 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.91 3kwc s LEU 140 CO 0.05 0.11 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.39 3kwc s ILE 141 N 0.67 1.77 -0.13 6.68 1.01 -0.17 -0.24 121.20 130.80 3kwc s ILE 141 Ca -0.04 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.71 3kwc s ILE 141 Cb -0.15 -1.61 0.04 0.00 0.01 0.00 0.00 42.46 40.75 3kwc s ILE 141 CO 0.02 0.49 0.33 -1.58 0.00 0.00 0.00 174.94 174.21 3kwc s GLN 142 N 1.12 0.37 -1.44 2.79 0.74 -0.65 -1.43 119.66 121.15 3kwc s GLN 142 Ca -0.02 0.50 -0.01 0.00 0.05 0.00 0.00 55.36 55.88 3kwc s GLN 142 Cb -0.14 0.14 0.00 0.00 1.10 0.00 0.00 33.01 34.11 3kwc s GLN 142 CO -0.06 -0.07 0.18 -0.25 -0.55 0.00 0.00 175.29 174.54 3kwc n ASP 143 N 3.15 -5.25 -4.03 6.67 10.43 -0.96 -4.21 116.55 122.35 3kwc n ASP 143 Ca -0.15 -0.09 -0.10 0.00 2.57 0.00 0.00 54.79 57.02 3kwc n ASP 143 Cb 0.57 -4.25 -0.08 0.00 1.84 0.00 0.00 41.12 39.20 3kwc n ASP 143 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 3kwc s VAL 144 N -2.95 0.08 -0.19 2.53 -7.23 -1.24 -4.68 120.40 106.72 3kwc s VAL 144 Ca 0.09 -1.58 -0.02 0.00 -1.81 0.00 0.00 61.98 58.66 3kwc s VAL 144 Cb -0.04 -1.91 -0.00 0.00 0.56 0.00 0.00 36.38 34.99 3kwc s VAL 144 CO 0.11 -0.36 -0.09 -0.70 -0.31 0.00 0.00 175.10 173.74 3kwc s GLU 145 N -4.00 3.31 -0.23 4.82 2.12 -1.26 -2.29 118.70 121.17 3kwc s GLU 145 Ca 0.19 -0.67 -0.17 0.00 0.36 0.00 0.00 54.97 54.69 3kwc s GLU 145 Cb 0.05 -2.85 -0.03 0.00 0.26 0.00 0.00 34.13 31.55 3kwc s GLU 145 CO 0.00 -0.12 0.44 0.42 -0.54 0.00 0.00 175.26 175.47 3kwc s ILE 146 N 1.22 5.15 0.90 -3.70 -1.09 -0.02 -4.78 121.20 118.87 3kwc s ILE 146 Ca 0.02 0.76 -0.12 0.00 -2.23 0.00 0.00 60.65 59.07 3kwc s ILE 146 Cb -0.14 -3.76 0.06 0.00 -1.58 0.00 0.00 42.46 37.04 3kwc s ILE 146 CO -0.03 0.18 0.72 -2.65 -1.23 0.00 0.00 174.94 171.92 3kwc n PRO 147 N 4.97 -0.21 -1.83 2.79 -0.02 -1.26 -1.18 135.00 138.26 3kwc n PRO 147 Ca -0.07 -0.01 -0.37 0.00 -2.02 0.00 0.00 63.50 61.03 3kwc n PRO 147 Cb 0.51 -2.07 0.05 0.00 -0.02 0.00 0.00 33.50 31.97 3kwc n PRO 147 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3kwc s PRO 148 N -3.86 2.90 -0.98 0.52 0.02 -1.26 -3.96 135.00 128.37 3kwc s PRO 148 Ca 0.63 2.07 -0.04 0.00 0.02 0.00 0.00 61.00 63.68 3kwc s PRO 148 Cb -0.24 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.25 3kwc s PRO 148 CO 0.62 -1.33 0.51 0.41 -0.33 0.00 0.00 177.00 176.88 3kwc n GLY 149 N 0.75 -0.08 3.71 0.52 0.00 -0.56 -4.95 105.19 104.58 3kwc n GLY 149 Ca 0.13 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 3kwc n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kwc s LYS 150 N -5.46 2.60 -0.13 1.61 -0.14 -1.25 -1.83 119.74 115.13 3kwc s LYS 150 Ca 0.25 -0.88 -0.02 0.00 -1.36 0.00 0.00 55.97 53.96 3kwc s LYS 150 Cb -0.11 -2.54 -0.02 0.00 -1.68 0.00 0.00 37.83 33.47 3kwc s LYS 150 CO 0.31 0.52 -0.06 -0.47 -0.76 0.00 0.00 175.35 174.89 3kwc s TYR 151 N -1.47 2.96 -0.27 3.18 5.04 -0.06 -1.34 117.35 125.40 3kwc s TYR 151 Ca 0.27 -0.32 -0.01 0.00 -2.44 0.00 0.00 57.07 54.57 3kwc s TYR 151 Cb -0.11 -1.89 0.04 0.00 0.35 0.00 0.00 41.96 40.35 3kwc s TYR 151 CO 0.19 -0.01 -0.05 0.08 -1.34 0.00 0.00 175.55 174.42 3kwc s VAL 152 N 0.16 2.76 0.71 3.14 1.01 -0.71 -4.11 120.40 123.35 3kwc s VAL 152 Ca -0.03 -1.28 -0.16 0.00 0.00 0.00 0.00 61.98 60.51 3kwc s VAL 152 Cb -0.14 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.74 3kwc s VAL 152 CO 0.03 0.05 1.01 -2.65 0.00 0.00 0.00 175.10 173.54 3kwc n PRO 153 N 4.60 0.58 -1.89 2.72 -0.02 -1.26 -1.86 135.00 137.87 3kwc n PRO 153 Ca -0.15 0.25 -0.41 0.00 -2.02 0.00 0.00 63.50 61.18 3kwc n PRO 153 Cb 0.45 -2.26 -0.01 0.00 -0.02 0.00 0.00 33.50 31.66 3kwc n PRO 153 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3kwc s SER 154 N -1.61 6.46 0.00 2.55 0.01 -1.26 -3.30 113.70 116.56 3kwc s SER 154 Ca 0.74 2.95 0.00 0.00 1.31 0.00 0.00 55.95 60.96 3kwc s SER 154 Cb -0.35 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.22 3kwc s SER 154 CO 0.49 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.97 3kwc n GLY 155 N 0.57 0.83 3.74 3.44 0.00 0.48 -4.93 105.19 109.32 3kwc n GLY 155 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3kwc n GLY 155 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kwc s MET 156 N -0.32 4.48 -0.59 1.61 1.00 -1.21 -4.88 119.30 119.39 3kwc s MET 156 Ca 0.00 1.89 -0.05 0.00 0.00 0.00 0.00 55.69 57.53 3kwc s MET 156 Cb 0.00 -3.24 0.15 0.00 0.00 0.00 0.00 34.83 31.74 3kwc s MET 156 CO 0.00 -0.12 0.42 0.08 0.00 0.00 0.00 175.02 175.40 3kwc s VAL 157 N 0.05 3.88 -0.43 -6.03 1.01 -1.26 -1.45 120.40 116.17 3kwc s VAL 157 Ca 0.54 -2.64 -0.16 0.00 0.00 0.00 0.00 61.98 59.71 3kwc s VAL 157 Cb -0.33 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.55 3kwc s VAL 157 CO 0.36 -0.85 0.39 -0.63 0.00 0.00 0.00 175.10 174.37 3kwc s ILE 158 N 0.30 5.16 0.00 2.22 1.01 0.67 -4.88 121.20 125.68 3kwc s ILE 158 Ca 0.14 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.21 3kwc s ILE 158 Cb -0.20 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.24 3kwc s ILE 158 CO -0.04 -0.42 0.20 0.35 0.00 0.00 0.00 174.94 175.03 3kwc n THR 159 N 5.31 0.00 -4.44 2.92 -2.24 -1.26 -1.63 114.28 112.93 3kwc n THR 159 Ca -0.09 -0.34 -0.21 0.00 -2.27 0.00 0.00 64.05 61.14 3kwc n THR 159 Cb 0.47 1.19 -0.14 0.00 -2.10 0.00 0.00 70.33 69.74 3kwc n THR 159 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kwc s THR 160 N -0.28 1.09 0.40 4.28 -4.23 -1.26 -4.76 115.64 110.87 3kwc s THR 160 Ca 0.00 -0.85 0.06 0.00 -1.18 0.00 0.00 61.69 59.73 3kwc s THR 160 Cb 0.00 -0.96 0.25 0.00 1.34 0.00 0.00 72.50 73.13 3kwc s THR 160 CO 0.00 0.11 2.03 -0.61 -0.54 0.00 0.00 174.62 175.61 3kwc h GLN 161 N 5.24 0.56 -0.95 3.99 5.75 -1.93 -2.06 115.11 125.71 3kwc h GLN 161 Ca -0.36 -0.04 0.18 0.00 -0.15 0.00 0.00 58.65 58.27 3kwc h GLN 161 Cb 1.17 -0.12 -0.10 0.00 1.07 0.00 0.00 27.48 29.50 3kwc h GLN 161 CO 0.46 0.40 0.54 1.96 -2.65 0.00 0.00 178.83 179.54 3kwc h GLN 162 N 0.57 0.68 -0.17 1.69 7.50 -1.99 -0.06 115.11 123.33 3kwc h GLN 162 Ca 0.15 -0.04 -0.08 0.00 0.50 0.00 0.00 58.65 59.18 3kwc h GLN 162 Cb -0.01 -0.15 -0.00 0.00 0.05 0.00 0.00 27.48 27.37 3kwc h GLN 162 CO -0.03 0.45 -0.19 1.96 -1.50 0.00 0.00 178.83 179.52 3kwc h GLN 163 N 0.70 0.42 0.00 1.46 4.20 -1.80 -3.24 115.11 116.85 3kwc h GLN 163 Ca 0.54 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 59.01 3kwc h GLN 163 Cb 0.83 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.63 3kwc h GLN 163 CO -0.39 0.81 -0.05 0.00 -0.67 0.00 0.00 178.83 178.53 3kwc h ALA 164 N 0.61 1.11 -0.00 3.87 0.00 -1.09 -2.60 119.26 121.16 3kwc h ALA 164 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kwc h ALA 164 Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3kwc h ALA 164 CO 0.05 0.06 -0.22 -0.25 0.00 0.00 0.00 179.25 178.88 3kwc n ASP 165 N -3.30 0.30 -2.02 0.00 8.00 -0.14 -4.07 116.55 115.33 3kwc n ASP 165 Ca -0.01 -0.02 -0.24 0.00 0.71 0.00 0.00 54.79 55.22 3kwc n ASP 165 Cb 0.21 -0.11 0.03 0.00 -0.02 0.00 0.00 41.12 41.22 3kwc n ASP 165 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kwc n ARG 166 N -1.38 3.54 -3.74 -1.24 5.12 -0.98 -5.05 116.66 112.94 3kwc n ARG 166 Ca 0.08 -4.11 -0.35 0.00 -1.93 0.00 0.00 57.85 51.54 3kwc n ARG 166 Cb 0.33 -2.27 -0.05 0.00 -1.16 0.00 0.00 32.46 29.30 3kwc n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3kwc s LEU 167 N -3.61 4.37 0.66 0.55 1.43 -1.26 -5.08 118.68 115.75 3kwc s LEU 167 Ca 0.52 0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 54.07 3kwc s LEU 167 Cb 0.41 -2.69 -0.00 0.00 0.03 0.00 0.00 46.19 43.94 3kwc s LEU 167 CO 0.04 0.25 1.07 -2.16 0.23 0.00 0.00 176.35 175.78 3kwc s PRO 168 N -1.74 2.97 0.40 1.29 0.04 -1.26 -4.85 135.00 131.85 3kwc s PRO 168 Ca 0.28 1.14 -0.25 0.00 0.04 0.00 0.00 61.00 62.21 3kwc s PRO 168 Cb -0.13 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 3kwc s PRO 168 CO 0.16 -1.09 1.17 -0.80 0.04 0.00 0.00 177.00 176.48 3kwc s ASN 169 N -3.18 6.51 0.59 6.66 0.01 -1.26 -0.88 114.94 123.40 3kwc s ASN 169 Ca 0.62 2.34 -0.19 0.00 -0.71 0.00 0.00 52.86 54.91 3kwc s ASN 169 Cb -0.16 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.85 3kwc s ASN 169 CO 0.46 -0.68 1.13 1.33 -1.51 0.00 0.00 177.10 177.84 3kwc n VAL 170 N 0.05 4.01 -2.93 1.60 0.24 -0.76 -4.61 118.33 115.93 3kwc n VAL 170 Ca 0.04 -0.50 -0.21 0.00 -2.04 0.00 0.00 64.34 61.64 3kwc n VAL 170 Cb 0.47 -1.34 0.02 0.00 -1.47 0.00 0.00 33.84 31.51 3kwc n VAL 170 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3kwc s GLU 171 N -2.91 2.84 0.25 7.34 0.41 -1.26 -5.01 118.70 120.35 3kwc s GLU 171 Ca 0.76 -0.79 -0.06 0.00 -0.41 0.00 0.00 54.97 54.47 3kwc s GLU 171 Cb -0.41 -2.60 0.26 0.00 -1.78 0.00 0.00 34.13 29.60 3kwc s GLU 171 CO 0.46 -0.39 1.92 1.05 -0.49 0.00 0.00 175.26 177.82 3kwc h GLU 172 N 0.38 1.30 -0.26 1.61 9.09 -2.01 -2.25 114.58 122.44 3kwc h GLU 172 Ca -0.44 -0.08 -0.01 0.00 0.05 0.00 0.00 59.36 58.89 3kwc h GLU 172 Cb 1.27 -0.29 -0.01 0.00 -1.65 0.00 0.00 28.75 28.07 3kwc h GLU 172 CO 0.53 0.86 0.12 0.66 0.05 0.00 0.00 179.01 181.23 3kwc h SER 173 N 1.34 0.31 -0.18 3.06 4.64 -2.00 -1.73 113.55 118.99 3kwc h SER 173 Ca 0.37 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.56 3kwc h SER 173 Cb -0.14 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 3kwc h SER 173 CO -0.08 0.27 -0.26 0.44 -0.87 0.00 0.00 176.83 176.32 3kwc h ASP 174 N 0.36 0.67 -0.29 4.97 3.32 -1.80 -0.71 116.42 122.94 3kwc h ASP 174 Ca 0.09 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 56.83 3kwc h ASP 174 Cb 0.04 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3kwc h ASP 174 CO -0.01 0.91 -0.07 0.40 -1.72 0.00 0.00 179.24 178.75 3kwc h ILE 175 N 0.57 1.28 -0.36 0.35 2.04 -1.17 -1.19 117.51 119.04 3kwc h ILE 175 Ca 0.08 -1.09 -0.06 0.00 1.00 0.00 0.00 64.86 64.78 3kwc h ILE 175 Cb 0.74 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 3kwc h ILE 175 CO 0.06 0.35 -0.01 -0.74 0.00 0.00 0.00 178.15 177.80 3kwc h HIS 176 N 0.31 0.70 -0.62 1.37 2.76 -1.43 -2.28 115.15 115.95 3kwc h HIS 176 Ca 0.07 -0.13 0.12 0.00 -2.20 0.00 0.00 60.37 58.24 3kwc h HIS 176 Cb 0.55 -0.18 -0.09 0.00 1.55 0.00 0.00 27.41 29.24 3kwc h HIS 176 CO 0.05 0.75 0.13 0.35 -1.30 0.00 0.00 177.93 177.91 3kwc h PHE 177 N 0.45 0.20 -0.56 5.26 3.57 -1.06 -1.11 116.94 123.68 3kwc h PHE 177 Ca 0.10 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 3kwc h PHE 177 Cb 0.48 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 3kwc h PHE 177 CO 0.04 -0.05 0.16 0.00 -2.23 0.00 0.00 178.31 176.23 3kwc h ALA 178 N 1.50 0.74 0.00 2.41 0.00 -1.09 -2.93 119.26 119.89 3kwc h ALA 178 Ca 0.33 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3kwc h ALA 178 Cb 0.51 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3kwc h ALA 178 CO -0.43 0.42 -0.55 -0.56 0.00 0.00 0.00 179.25 178.13 3kwc h GLN 179 N 0.79 0.00 -0.31 0.00 3.07 -0.97 -2.92 115.11 114.78 3kwc h GLN 179 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.92 3kwc h GLN 179 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.86 3kwc h GLN 179 CO -0.00 0.55 0.20 1.25 0.09 0.00 0.00 178.83 180.92 3kwc h HIS 180 N 0.00 0.40 -0.99 0.06 2.76 -1.09 -1.69 115.15 114.61 3kwc h HIS 180 Ca -0.01 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.19 3kwc h HIS 180 Cb 1.09 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.87 3kwc h HIS 180 CO 0.00 0.28 0.66 0.28 -1.30 0.00 0.00 177.93 177.85 3kwc h VAL 181 N 0.41 1.22 -0.25 5.26 2.07 -1.37 -0.55 116.25 123.05 3kwc h VAL 181 Ca 0.11 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3kwc h VAL 181 Cb -0.01 -0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 29.54 3kwc h VAL 181 CO -0.02 0.24 0.13 0.58 0.02 0.00 0.00 177.57 178.52 3kwc h VAL 182 N 1.31 1.13 -0.72 2.57 2.07 -1.31 -2.83 116.25 118.47 3kwc h VAL 182 Ca 0.38 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 3kwc h VAL 182 Cb -0.10 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3kwc h VAL 182 CO -0.10 0.13 0.22 1.23 0.02 0.00 0.00 177.57 179.07 3kwc h GLY 183 N 0.29 1.20 1.01 2.17 0.00 -0.89 -2.26 103.07 104.60 3kwc h GLY 183 Ca 0.09 -0.71 0.01 0.00 0.00 0.00 0.00 47.33 46.71 3kwc h GLY 183 CO -0.01 0.67 0.55 -2.22 0.00 0.00 0.00 176.54 175.52 3kwc h ILE 184 N 1.07 1.22 -0.01 2.60 1.08 -1.00 -2.02 117.51 120.45 3kwc h ILE 184 Ca 0.23 -0.42 -0.14 0.00 -0.39 0.00 0.00 64.86 64.14 3kwc h ILE 184 Cb 0.31 -0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.03 3kwc h ILE 184 CO -0.01 0.22 -0.67 0.78 -0.69 0.00 0.00 178.15 177.78 3kwc h ASN 185 N 1.15 0.06 -0.13 1.72 2.35 -1.29 -0.51 115.58 118.92 3kwc h ASN 185 Ca 0.31 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 56.02 3kwc h ASN 185 Cb -0.12 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3kwc h ASN 185 CO -0.06 0.71 0.07 -0.33 -1.65 0.00 0.00 177.43 176.17 3kwc h GLU 186 N 0.04 0.18 -0.50 0.81 5.08 -1.14 -0.55 114.58 118.50 3kwc h GLU 186 Ca -0.01 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3kwc h GLU 186 Cb 1.19 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 3kwc h GLU 186 CO 0.09 0.19 0.22 0.00 -1.00 0.00 0.00 179.01 178.51 3kwc h ALA 187 N 0.98 0.63 -0.17 3.43 0.00 -1.24 -2.41 119.26 120.48 3kwc h ALA 187 Ca 0.05 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3kwc h ALA 187 Cb 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kwc h ALA 187 CO -0.01 -0.15 0.07 -0.07 0.00 0.00 0.00 179.25 179.09 3kwc h LEU 188 N 0.43 0.11 -0.44 0.00 3.38 -0.99 -2.49 115.31 115.30 3kwc h LEU 188 Ca 0.23 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.29 3kwc h LEU 188 Cb 0.19 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 3kwc h LEU 188 CO -0.19 0.09 0.04 0.25 0.09 0.00 0.00 178.44 178.71 3kwc h LEU 189 N 0.17 -0.10 -0.63 1.67 6.46 -0.92 -1.79 115.31 120.17 3kwc h LEU 189 Ca 0.07 0.09 -0.06 0.00 -0.12 0.00 0.00 57.88 57.86 3kwc h LEU 189 Cb 0.02 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.07 3kwc h LEU 189 CO -0.06 -0.01 0.16 0.77 -0.62 0.00 0.00 178.44 178.68 3kwc h SER 190 N 0.16 0.95 -0.69 1.25 4.64 -1.34 -1.70 113.55 116.83 3kwc h SER 190 Ca 0.22 -0.23 0.03 0.00 -0.47 0.00 0.00 61.79 61.34 3kwc h SER 190 Cb 0.30 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 3kwc h SER 190 CO -0.33 0.93 0.42 1.23 -0.87 0.00 0.00 176.83 178.22 3kwc h GLY 191 N 0.92 0.99 1.55 -0.77 0.00 -1.18 0.51 103.07 105.10 3kwc h GLY 191 Ca 0.20 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.13 3kwc h GLY 191 CO 0.00 0.26 -0.14 -0.97 0.00 0.00 0.00 176.54 175.69 3kwc h TYR 192 N 0.83 0.59 -0.28 5.60 0.05 -1.13 -1.93 116.97 120.70 3kwc h TYR 192 Ca 0.28 -0.10 -0.15 0.00 0.05 0.00 0.00 58.73 58.81 3kwc h TYR 192 Cb 0.04 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 3kwc h TYR 192 CO -0.05 0.66 -0.43 1.96 -1.05 0.00 0.00 178.16 179.25 3kwc h GLN 193 N 0.50 0.69 -0.74 4.88 4.20 -0.96 -3.10 115.11 120.57 3kwc h GLN 193 Ca 0.09 -0.37 0.01 0.00 0.06 0.00 0.00 58.65 58.43 3kwc h GLN 193 Cb 0.53 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 3kwc h GLN 193 CO 0.03 0.98 0.48 0.00 -0.67 0.00 0.00 178.83 179.66 3kwc h ALA 195 N 1.26 1.06 -0.00 0.00 0.00 -1.31 -2.16 119.26 118.11 3kwc h ALA 195 Ca 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kwc h ALA 195 Cb -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3kwc h ALA 195 CO -0.06 0.05 -0.15 0.39 0.00 0.00 0.00 179.25 179.48 3kwc n GLU 196 N -3.21 0.44 -4.03 0.00 -0.58 -1.03 -4.83 120.64 107.39 3kwc n GLU 196 Ca -0.01 -0.15 -0.31 0.00 -0.42 0.00 0.00 57.16 56.27 3kwc n GLU 196 Cb 0.23 -1.50 -0.16 0.00 -0.57 0.00 0.00 31.44 29.45 3kwc n GLU 196 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3kwc s ASN 197 N -2.67 3.48 0.35 1.62 3.84 -0.82 -5.03 114.94 115.72 3kwc s ASN 197 Ca 0.23 -0.91 0.06 0.00 0.21 0.00 0.00 52.86 52.46 3kwc s ASN 197 Cb 0.19 -1.32 0.74 0.00 -0.55 0.00 0.00 41.25 40.31 3kwc s ASN 197 CO 0.52 -0.12 1.91 -0.29 -2.79 0.00 0.00 177.10 176.33 3kwc h ILE 198 N 6.36 0.94 -0.44 -5.21 6.09 -1.88 -1.56 117.51 121.80 3kwc h ILE 198 Ca -0.30 -0.27 -0.07 0.00 -1.37 0.00 0.00 64.86 62.86 3kwc h ILE 198 Cb 1.10 0.09 -0.02 0.00 0.47 0.00 0.00 36.82 38.46 3kwc h ILE 198 CO 0.50 0.14 -0.00 0.00 -3.07 0.00 0.00 178.15 175.72 3kwc h ALA 199 N 1.58 1.17 0.00 0.18 0.00 -1.95 -2.04 119.26 118.19 3kwc h ALA 199 Ca 0.39 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kwc h ALA 199 Cb 0.47 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3kwc h ALA 199 CO -0.16 0.54 -0.01 0.00 0.00 0.00 0.00 179.25 179.62 3kwc h ILE 201 N -1.00 0.97 0.01 0.00 6.09 -1.30 -3.36 117.51 118.91 3kwc h ILE 201 Ca -0.00 -2.21 -0.00 0.00 -1.37 0.00 0.00 64.86 61.28 3kwc h ILE 201 Cb 0.98 2.37 0.00 0.00 0.47 0.00 0.00 36.82 40.63 3kwc h ILE 201 CO -0.00 0.52 -0.00 0.00 -3.07 0.00 0.00 178.15 175.60 3kwc h ALA 202 N 1.47 -0.01 -0.41 0.18 0.00 -1.58 -0.91 119.26 117.99 3kwc h ALA 202 Ca -0.01 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3kwc h ALA 202 Cb 1.33 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 3kwc h ALA 202 CO 0.07 -0.38 0.28 -1.35 0.00 0.00 0.00 179.25 177.86 3kwc h PRO 203 N -0.26 0.43 -0.04 0.00 0.11 -1.78 -1.47 132.00 128.99 3kwc h PRO 203 Ca -0.00 -0.03 -0.24 0.00 0.11 0.00 0.00 66.00 65.85 3kwc h PRO 203 Cb 0.25 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.28 3kwc h PRO 203 CO 0.00 0.28 -0.92 0.82 -0.21 0.00 0.00 178.00 177.97 3kwc h ILE 204 N 0.44 1.32 0.00 4.15 2.04 -1.69 -3.26 117.51 120.52 3kwc h ILE 204 Ca 0.17 -2.23 -0.10 0.00 1.00 0.00 0.00 64.86 63.70 3kwc h ILE 204 Cb 0.12 2.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 3kwc h ILE 204 CO -0.04 0.68 -0.46 -0.09 0.00 0.00 0.00 178.15 178.24 3kwc h ARG 205 N 0.37 0.00 0.00 2.37 2.43 -0.80 -2.83 114.38 115.92 3kwc h ARG 205 Ca -0.09 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 3kwc h ARG 205 Cb 1.56 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.10 3kwc h ARG 205 CO 0.18 0.46 -0.29 -0.91 -1.51 0.00 0.00 179.97 177.90 3kwc h ASN 206 N 0.00 0.00 0.00 -3.80 -0.26 -1.32 -3.51 115.58 106.70 3kwc h ASN 206 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3kwc h ASN 206 Cb 0.85 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.11 3kwc h ASN 206 CO 0.06 0.29 0.00 -0.62 -1.06 0.00 0.00 177.43 176.10