#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 5.27 0.03 1.69 0.01 -1.26 -1.90 113.70 117.53 3kwc s SER 5 Ca 0.00 0.03 -0.05 0.00 1.31 0.00 0.00 55.95 57.24 3kwc s SER 5 Cb 0.00 -1.41 -0.01 0.00 0.21 0.00 0.00 66.02 64.81 3kwc s SER 5 CO 0.00 0.28 0.07 -0.31 0.41 0.00 0.00 173.24 173.69 3kwc s TYR 6 N -1.12 0.19 0.60 2.43 2.02 -0.18 -4.99 117.35 116.31 3kwc s TYR 6 Ca 0.20 -0.45 -0.17 0.00 -0.37 0.00 0.00 57.07 56.28 3kwc s TYR 6 Cb -0.12 -0.14 -0.03 0.00 -0.40 0.00 0.00 41.96 41.27 3kwc s TYR 6 CO 0.11 -0.31 1.10 0.00 -1.57 0.00 0.00 175.55 174.88 3kwc s ALA 7 N -2.17 2.62 0.44 3.71 0.00 -1.26 -1.12 121.76 123.98 3kwc s ALA 7 Ca -0.09 0.61 -0.25 0.00 0.00 0.00 0.00 51.96 52.23 3kwc s ALA 7 Cb -0.04 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.69 3kwc s ALA 7 CO -0.03 -0.97 1.32 0.00 0.00 0.00 0.00 175.76 176.09 3kwc s ALA 8 N -2.17 3.15 0.60 0.00 0.00 -0.10 -4.43 121.76 118.82 3kwc s ALA 8 Ca 0.68 1.27 -0.15 0.00 0.00 0.00 0.00 51.96 53.75 3kwc s ALA 8 Cb -0.20 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 3kwc s ALA 8 CO 0.35 -0.97 1.05 -1.25 0.00 0.00 0.00 175.76 174.94 3kwc s PRO 9 N -2.45 3.31 0.06 0.00 0.04 -1.26 -4.29 135.00 130.41 3kwc s PRO 9 Ca 0.61 1.16 -0.31 0.00 0.04 0.00 0.00 61.00 62.50 3kwc s PRO 9 Cb -0.39 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.06 3kwc s PRO 9 CO 0.49 -0.81 1.25 -1.25 0.04 0.00 0.00 177.00 176.72 3kwc s PRO 10 N -4.19 4.39 0.20 0.56 0.04 -1.26 -4.80 135.00 129.94 3kwc s PRO 10 Ca 0.63 1.84 -0.05 0.00 0.04 0.00 0.00 61.00 63.45 3kwc s PRO 10 Cb -0.15 -3.36 -0.03 0.00 0.04 0.00 0.00 34.50 31.00 3kwc s PRO 10 CO 0.39 -0.34 0.24 0.95 0.04 0.00 0.00 177.00 178.28 3kwc s THR 11 N 1.28 0.02 0.52 1.26 -4.23 -0.84 -5.03 115.64 108.61 3kwc s THR 11 Ca 0.60 -1.74 0.24 0.00 -1.18 0.00 0.00 61.69 59.62 3kwc s THR 11 Cb -0.31 -2.27 0.40 0.00 1.34 0.00 0.00 72.50 71.66 3kwc s THR 11 CO 0.29 -0.09 1.98 -0.65 -0.54 0.00 0.00 174.62 175.60 3kwc h PRO 12 N 2.53 0.06 0.00 3.99 0.11 -2.00 -2.78 132.00 133.91 3kwc h PRO 12 Ca -0.32 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3kwc h PRO 12 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kwc h PRO 12 CO 0.48 0.04 -1.12 -2.67 -0.21 0.00 0.00 178.00 174.52 3kwc n TRP 13 N -4.38 0.04 -3.63 0.65 2.14 -1.26 -4.93 117.44 106.07 3kwc n TRP 13 Ca 0.11 0.01 -0.08 0.00 2.07 0.00 0.00 57.50 59.62 3kwc n TRP 13 Cb 0.63 -0.18 -0.09 0.00 -0.81 0.00 0.00 31.31 30.86 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 -3.40 -0.30 -0.09 -0.67 0.15 -1.05 -5.02 113.70 103.31 3kwc s SER 14 Ca 0.05 0.99 0.14 0.00 0.70 0.00 0.00 55.95 57.83 3kwc s SER 14 Cb 0.16 1.42 0.21 0.00 -1.71 0.00 0.00 66.02 66.09 3kwc s SER 14 CO 0.85 -0.23 1.10 0.54 1.20 0.00 0.00 173.24 176.69 3kwc n ARG 15 N 5.39 1.35 0.12 5.44 1.74 -1.26 -1.99 116.66 127.45 3kwc n ARG 15 Ca -0.08 -2.19 0.12 0.00 -0.77 0.00 0.00 57.85 54.92 3kwc n ARG 15 Cb 0.49 -1.29 0.08 0.00 -1.02 0.00 0.00 32.46 30.72 3kwc n ARG 15 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3kwc h ASP 16 N 0.00 0.00 -5.89 0.55 3.04 -1.92 -3.48 116.42 108.72 3kwc h ASP 16 Ca 0.00 -0.03 -0.40 0.00 -3.24 0.00 0.00 57.03 53.36 3kwc h ASP 16 Cb 0.97 0.00 0.12 0.00 -1.04 0.00 0.00 39.33 39.38 3kwc h ASP 16 CO 0.00 0.02 -0.71 0.18 -2.04 0.00 0.00 179.24 176.68 3kwc n LEU 17 N -2.67 -3.39 -4.76 0.15 4.77 -1.26 -4.93 117.00 104.90 3kwc n LEU 17 Ca 0.02 -0.60 -0.38 0.00 -0.03 0.00 0.00 56.01 55.02 3kwc n LEU 17 Cb 0.52 -2.97 0.01 0.00 -2.33 0.00 0.00 43.42 38.65 3kwc n LEU 17 CO 0.38 0.57 0.89 0.00 -1.33 0.00 0.00 177.39 177.90 3kwc s ALA 18 N -3.34 2.92 0.16 -1.18 0.00 -1.26 -4.39 121.76 114.66 3kwc s ALA 18 Ca 0.46 1.10 0.09 0.00 0.00 0.00 0.00 51.96 53.61 3kwc s ALA 18 Cb -0.21 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 3kwc s ALA 18 CO 0.75 -0.94 -0.21 -1.21 0.00 0.00 0.00 175.76 174.15 3kwc s GLU 19 N -2.77 1.32 0.44 0.00 2.02 -1.26 -0.92 118.70 117.54 3kwc s GLU 19 Ca 0.66 -1.39 -0.25 0.00 0.02 0.00 0.00 54.97 54.01 3kwc s GLU 19 Cb -0.33 -1.52 -0.09 0.00 0.10 0.00 0.00 34.13 32.29 3kwc s GLU 19 CO 0.40 0.33 1.31 -2.30 0.02 0.00 0.00 175.26 175.01 3kwc n PRO 20 N 0.46 1.98 -3.52 0.39 -0.02 -0.31 -4.46 135.00 129.52 3kwc n PRO 20 Ca -0.14 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 3kwc n PRO 20 Cb 0.56 -2.45 -0.10 0.00 -0.02 0.00 0.00 33.50 31.49 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 -2.31 2.90 -0.23 -0.52 2.02 0.01 -4.93 118.70 115.64 3kwc s GLU 21 Ca 0.62 -1.07 -0.03 0.00 0.02 0.00 0.00 54.97 54.51 3kwc s GLU 21 Cb -0.49 -3.88 0.00 0.00 0.10 0.00 0.00 34.13 29.87 3kwc s GLU 21 CO 0.57 -0.75 -0.05 0.42 0.02 0.00 0.00 175.26 175.48 3kwc s ILE 22 N 1.62 3.22 0.21 -1.63 1.01 -1.26 -0.36 121.20 124.01 3kwc s ILE 22 Ca 0.04 -0.66 -0.32 0.00 0.00 0.00 0.00 60.65 59.70 3kwc s ILE 22 Cb -0.19 -2.51 -0.13 0.00 0.01 0.00 0.00 42.46 39.63 3kwc s ILE 22 CO 0.08 0.35 1.59 0.00 0.00 0.00 0.00 174.94 176.96 3kwc n ALA 23 N 4.76 1.88 0.03 9.38 0.00 -0.78 -4.89 120.51 130.89 3kwc n ALA 23 Ca -0.18 0.42 0.22 0.00 0.00 0.00 0.00 53.44 53.90 3kwc n ALA 23 Cb 0.50 -2.40 0.73 0.00 0.00 0.00 0.00 19.45 18.28 3kwc n ALA 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kwc h PRO 24 N 5.66 0.00 -0.00 0.00 0.11 -1.94 -0.87 132.00 134.96 3kwc h PRO 24 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kwc h PRO 24 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kwc h PRO 24 CO 0.87 0.00 -0.05 0.25 -0.21 0.00 0.00 178.00 178.86 3kwc n THR 25 N -3.95 0.00 -2.35 -1.15 -2.24 -1.26 -4.87 114.28 98.45 3kwc n THR 25 Ca 0.10 -0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.55 3kwc n THR 25 Cb 0.67 -0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 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 -2.70 3.11 -0.18 6.98 0.00 -0.33 -3.57 121.76 125.06 3kwc s ALA 26 Ca 0.23 0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.27 3kwc s ALA 26 Cb 0.20 -3.05 0.04 0.00 0.00 0.00 0.00 23.12 20.30 3kwc s ALA 26 CO 0.50 -0.30 -0.12 -0.47 0.00 0.00 0.00 175.76 175.37 3kwc s TYR 27 N -2.71 2.38 -0.22 0.00 5.04 -0.32 -4.93 117.35 116.59 3kwc s TYR 27 Ca 0.57 -1.49 -0.07 0.00 -2.44 0.00 0.00 57.07 53.64 3kwc s TYR 27 Cb -0.10 -1.65 -0.03 0.00 0.35 0.00 0.00 41.96 40.53 3kwc s TYR 27 CO 0.36 -0.73 0.06 0.08 -1.34 0.00 0.00 175.55 173.98 3kwc s VAL 28 N 1.41 4.40 0.41 3.14 1.01 -1.26 -1.64 120.40 127.87 3kwc s VAL 28 Ca 0.01 -0.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.58 3kwc s VAL 28 Cb -0.15 -3.02 -0.09 0.00 0.00 0.00 0.00 36.38 33.12 3kwc s VAL 28 CO -0.09 0.39 1.30 -1.00 0.00 0.00 0.00 175.10 175.70 3kwc s HIS 29 N 1.15 2.81 0.24 5.22 0.09 -0.61 -4.94 115.29 119.24 3kwc s HIS 29 Ca 0.04 1.41 -0.05 0.00 -0.00 0.00 0.00 55.06 56.46 3kwc s HIS 29 Cb -0.14 -3.67 0.38 0.00 -0.00 0.00 0.00 32.58 29.14 3kwc s HIS 29 CO 0.03 -2.10 1.82 0.77 -0.00 0.00 0.00 174.74 175.26 3kwc h SER 30 N 2.65 0.72 -0.40 1.40 0.02 -1.96 -3.31 113.55 112.67 3kwc h SER 30 Ca -0.50 0.04 -0.67 0.00 -0.84 0.00 0.00 61.79 59.83 3kwc h SER 30 Cb 1.25 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.63 3kwc h SER 30 CO 0.62 0.42 2.53 0.33 -1.14 0.00 0.00 176.83 179.60 3kwc n PHE 31 N -4.71 3.83 -3.72 3.45 7.35 -1.26 -4.75 117.46 117.65 3kwc n PHE 31 Ca 0.13 -2.72 -0.06 0.00 -0.76 0.00 0.00 57.45 54.04 3kwc n PHE 31 Cb 0.25 -2.53 -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 4.01 -0.25 -0.03 -2.13 1.04 -1.25 -0.75 113.70 114.33 3kwc s SER 32 Ca 0.52 -0.38 -0.01 0.00 0.48 0.00 0.00 55.95 56.57 3kwc s SER 32 Cb 0.09 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.79 3kwc s SER 32 CO 0.01 -0.99 0.05 0.21 0.98 0.00 0.00 173.24 173.50 3kwc s ASN 33 N -2.86 0.58 -0.08 7.02 2.47 -0.37 -4.12 114.94 117.57 3kwc s ASN 33 Ca 0.10 0.07 0.02 0.00 0.42 0.00 0.00 52.86 53.47 3kwc s ASN 33 Cb -0.03 -0.10 0.01 0.00 -1.45 0.00 0.00 41.25 39.69 3kwc s ASN 33 CO 0.01 -0.19 -0.15 -0.76 -3.72 0.00 0.00 177.10 172.29 3kwc s LEU 34 N 1.61 1.72 -0.06 3.21 1.02 -0.80 -1.04 118.68 124.35 3kwc s LEU 34 Ca -0.02 -0.37 0.01 0.00 0.02 0.00 0.00 54.13 53.77 3kwc s LEU 34 Cb -0.13 -0.97 0.02 0.00 0.02 0.00 0.00 46.19 45.13 3kwc s LEU 34 CO -0.03 0.05 -0.06 -0.63 0.02 0.00 0.00 176.35 175.70 3kwc s ILE 35 N 0.69 0.67 0.00 -0.59 1.01 -0.41 -1.01 121.20 121.56 3kwc s ILE 35 Ca -0.14 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.34 3kwc s ILE 35 Cb -0.16 -0.69 0.00 0.00 0.01 0.00 0.00 42.46 41.63 3kwc s ILE 35 CO 0.04 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.85 3kwc n GLY 36 N 4.21 -1.35 3.22 6.18 0.00 -0.28 -0.68 105.19 116.49 3kwc n GLY 36 Ca -0.21 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 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 4.19 -4.32 1.61 4.64 -1.25 -1.16 116.55 120.38 3kwc n ASP 37 Ca 0.00 -2.85 -0.37 0.00 -1.38 0.00 0.00 54.79 50.19 3kwc n ASP 37 Cb 0.00 -1.67 -0.13 0.00 -1.04 0.00 0.00 41.12 38.29 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 4.46 3.84 -0.45 5.18 1.01 -1.26 -1.68 120.40 131.50 3kwc s VAL 38 Ca 0.53 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 3kwc s VAL 38 Cb 0.08 -3.02 0.06 0.00 0.00 0.00 0.00 36.38 33.51 3kwc s VAL 38 CO 0.02 0.04 0.36 -0.13 0.00 0.00 0.00 175.10 175.39 3kwc s ARG 39 N 1.47 2.94 -0.26 2.72 0.52 -0.59 -0.81 118.95 124.94 3kwc s ARG 39 Ca 0.02 -1.27 -0.06 0.00 -0.52 0.00 0.00 55.73 53.90 3kwc s ARG 39 Cb -0.18 -4.05 -0.01 0.00 0.52 0.00 0.00 34.95 31.23 3kwc s ARG 39 CO 0.02 -0.94 0.04 0.42 0.02 0.00 0.00 175.30 174.85 3kwc s ILE 40 N 1.63 3.87 0.57 1.52 1.01 0.52 -1.38 121.20 128.94 3kwc s ILE 40 Ca 0.04 -0.47 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 3kwc s ILE 40 Cb -0.23 -2.87 0.12 0.00 0.01 0.00 0.00 42.46 39.50 3kwc s ILE 40 CO 0.07 0.27 0.78 0.29 0.00 0.00 0.00 174.94 176.35 3kwc n LYS 41 N 4.86 -0.19 -1.79 2.79 4.76 -0.69 -1.87 118.16 126.02 3kwc n LYS 41 Ca -0.16 -1.80 -0.40 0.00 -2.87 0.00 0.00 58.31 53.08 3kwc n LYS 41 Cb 0.50 -0.62 0.02 0.00 -1.84 0.00 0.00 35.03 33.09 3kwc n LYS 41 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3kwc s ASP 42 N -4.06 5.85 -1.46 4.39 1.01 -1.26 -3.46 116.67 117.68 3kwc s ASP 42 Ca 0.49 2.92 -0.09 0.00 0.71 0.00 0.00 52.55 56.59 3kwc s ASP 42 Cb -0.02 -2.65 0.03 0.00 1.01 0.00 0.00 42.92 41.29 3kwc s ASP 42 CO 0.33 -1.19 0.84 -1.22 0.21 0.00 0.00 175.17 174.14 3kwc n TYR 43 N -0.22 -2.29 -3.29 4.23 4.01 -1.23 -1.20 117.16 117.16 3kwc n TYR 43 Ca 0.05 0.74 -0.38 0.00 -0.16 0.00 0.00 57.90 58.15 3kwc n TYR 43 Cb 0.42 -4.33 -0.06 0.00 -0.31 0.00 0.00 39.34 35.06 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 -3.21 5.10 -0.25 -0.72 1.01 -1.22 -3.52 120.40 117.58 3kwc s VAL 44 Ca 0.48 1.04 -0.07 0.00 0.00 0.00 0.00 61.98 63.43 3kwc s VAL 44 Cb -0.23 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 3kwc s VAL 44 CO 0.59 0.37 0.06 -2.28 0.00 0.00 0.00 175.10 173.85 3kwc s HIS 45 N 0.25 3.08 -0.20 5.22 2.46 -1.05 -1.17 115.29 123.88 3kwc s HIS 45 Ca 0.28 -0.50 0.01 0.00 0.47 0.00 0.00 55.06 55.31 3kwc s HIS 45 Cb -0.16 -2.23 0.02 0.00 -0.13 0.00 0.00 32.58 30.08 3kwc s HIS 45 CO 0.13 -0.39 -0.16 0.42 -2.47 0.00 0.00 174.74 172.27 3kwc s ILE 46 N 1.60 2.29 0.61 0.89 1.01 -0.65 -0.09 121.20 126.85 3kwc s ILE 46 Ca 0.06 -1.00 -0.03 0.00 0.00 0.00 0.00 60.65 59.68 3kwc s ILE 46 Cb -0.15 -2.05 0.04 0.00 0.01 0.00 0.00 42.46 40.31 3kwc s ILE 46 CO 0.03 0.41 0.88 0.00 0.00 0.00 0.00 174.94 176.26 3kwc s ALA 47 N 1.29 3.54 0.51 9.38 0.00 0.32 -1.58 121.76 135.22 3kwc s ALA 47 Ca 0.03 -1.10 -0.23 0.00 0.00 0.00 0.00 51.96 50.66 3kwc s ALA 47 Cb -0.14 -2.33 -0.06 0.00 0.00 0.00 0.00 23.12 20.58 3kwc s ALA 47 CO -0.10 -0.96 1.36 -2.14 0.00 0.00 0.00 175.76 173.92 3kwc s PRO 48 N -4.97 3.35 0.00 0.00 0.02 -1.26 -3.47 135.00 128.66 3kwc s PRO 48 Ca 0.58 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.85 3kwc s PRO 48 Cb -0.10 -2.39 0.00 0.00 0.02 0.00 0.00 34.50 32.03 3kwc s PRO 48 CO 0.41 -1.03 0.00 0.41 -0.33 0.00 0.00 177.00 176.46 3kwc n GLY 49 N 0.67 1.09 3.75 0.52 0.00 0.07 -2.19 105.19 109.10 3kwc n GLY 49 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3kwc n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kwc s THR 50 N -2.66 4.22 -0.20 2.61 2.01 -1.23 -3.88 115.64 116.51 3kwc s THR 50 Ca 0.00 1.97 0.01 0.00 0.31 0.00 0.00 61.69 63.98 3kwc s THR 50 Cb 0.00 -4.27 0.04 0.00 0.01 0.00 0.00 72.50 68.28 3kwc s THR 50 CO 0.00 0.48 -0.10 -0.55 -0.69 0.00 0.00 174.62 173.75 3kwc s SER 51 N -0.99 3.40 -0.21 3.53 0.15 -0.60 -1.24 113.70 117.74 3kwc s SER 51 Ca 0.40 -0.89 -0.02 0.00 0.70 0.00 0.00 55.95 56.14 3kwc s SER 51 Cb -0.25 -1.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.82 3kwc s SER 51 CO 0.30 -0.14 -0.08 -0.63 1.20 0.00 0.00 173.24 173.89 3kwc s ILE 52 N 1.39 3.01 -0.31 6.45 1.01 -0.21 -1.70 121.20 130.84 3kwc s ILE 52 Ca -0.01 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 3kwc s ILE 52 Cb -0.16 -2.37 0.10 0.00 0.01 0.00 0.00 42.46 40.04 3kwc s ILE 52 CO -0.08 0.42 0.12 -0.60 0.00 0.00 0.00 174.94 174.80 3kwc s ARG 53 N 1.42 0.54 -1.02 2.79 3.52 -0.45 -1.28 118.95 124.46 3kwc s ARG 53 Ca 0.05 -0.94 -0.02 0.00 -0.13 0.00 0.00 55.73 54.69 3kwc s ARG 53 Cb -0.14 -1.66 0.30 0.00 -1.56 0.00 0.00 34.95 31.89 3kwc s ARG 53 CO -0.06 -1.02 1.92 0.00 -0.81 0.00 0.00 175.30 175.33 3kwc n ALA 54 N 4.87 6.21 0.02 6.12 0.00 0.14 -4.46 120.51 133.41 3kwc n ALA 54 Ca -0.02 -4.48 0.08 0.00 0.00 0.00 0.00 53.44 49.01 3kwc n ALA 54 Cb 0.41 -2.22 -0.12 0.00 0.00 0.00 0.00 19.45 17.53 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 0.05 1.52 0.00 0.00 3.85 -1.26 -4.25 116.55 116.46 3kwc n ASP 55 Ca 0.49 -0.03 0.00 0.00 -0.71 0.00 0.00 54.79 54.54 3kwc n ASP 55 Cb 0.26 1.66 0.00 0.00 -1.35 0.00 0.00 41.12 41.69 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 -2.00 0.00 -1.99 0.11 1.02 -1.26 -4.89 120.64 111.63 3kwc n GLU 56 Ca -0.03 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.70 3kwc n GLU 56 Cb 0.39 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.78 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 -0.25 2.30 -0.10 0.62 0.00 -0.46 -4.57 107.32 104.87 3kwc s GLY 57 Ca 0.00 1.35 -0.30 0.00 0.00 0.00 0.00 44.72 45.77 3kwc s GLY 57 CO 0.00 2.30 0.75 -1.08 0.00 0.00 0.00 173.10 175.08 3kwc s THR 58 N -0.01 0.00 0.66 0.90 -1.32 -1.26 -4.54 115.64 110.08 3kwc s THR 58 Ca 0.60 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 61.05 3kwc s THR 58 Cb -0.42 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 69.64 3kwc s THR 58 CO 0.44 0.00 0.94 -2.16 -2.21 0.00 0.00 174.62 171.62 3kwc s PRO 59 N -1.00 2.11 -0.03 7.08 0.04 -1.26 -4.33 135.00 137.61 3kwc s PRO 59 Ca -0.08 -0.68 0.03 0.00 0.04 0.00 0.00 61.00 60.31 3kwc s PRO 59 Cb -0.01 -2.31 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 3kwc s PRO 59 CO 0.07 -1.16 -0.10 -0.06 0.04 0.00 0.00 177.00 175.79 3kwc s PHE 60 N -3.07 2.82 -0.11 0.56 0.08 -0.68 -1.53 117.98 116.05 3kwc s PHE 60 Ca 0.61 -0.07 0.03 0.00 0.12 0.00 0.00 56.93 57.63 3kwc s PHE 60 Cb -0.09 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.73 3kwc s PHE 60 CO 0.43 0.30 -0.22 -1.58 -0.10 0.00 0.00 175.22 174.04 3kwc s HIS 61 N -0.86 2.61 -0.23 0.36 5.65 -0.20 -1.55 115.29 121.07 3kwc s HIS 61 Ca 0.14 -1.08 0.01 0.00 0.25 0.00 0.00 55.06 54.38 3kwc s HIS 61 Cb -0.11 -1.75 0.05 0.00 -1.18 0.00 0.00 32.58 29.60 3kwc s HIS 61 CO 0.04 -0.45 -0.08 0.42 -0.65 0.00 0.00 174.74 174.02 3kwc s ILE 62 N 0.45 1.72 1.17 0.89 1.01 -0.48 -1.21 121.20 124.76 3kwc s ILE 62 Ca -0.15 -1.26 -0.20 0.00 0.00 0.00 0.00 60.65 59.04 3kwc s ILE 62 Cb -0.17 -1.89 0.29 0.00 0.01 0.00 0.00 42.46 40.69 3kwc s ILE 62 CO 0.06 -0.00 1.12 0.61 0.00 0.00 0.00 174.94 176.73 3kwc n GLY 63 N 4.62 -2.56 3.79 6.18 0.00 -0.23 -1.71 105.19 115.27 3kwc n GLY 63 Ca -0.13 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 3kwc n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kwc s SER 64 N -4.64 6.89 -1.97 1.61 1.04 -1.26 -3.42 113.70 111.94 3kwc s SER 64 Ca 0.71 1.88 0.00 0.00 0.48 0.00 0.00 55.95 59.02 3kwc s SER 64 Cb -0.06 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.49 3kwc s SER 64 CO 0.53 -0.39 0.00 0.54 0.98 0.00 0.00 173.24 174.90 3kwc n ARG 65 N -0.19 -1.54 -3.55 4.02 1.74 -0.34 -1.01 116.66 115.78 3kwc n ARG 65 Ca 0.05 1.10 -0.38 0.00 -0.77 0.00 0.00 57.85 57.86 3kwc n ARG 65 Cb 0.51 -5.57 -0.06 0.00 -1.02 0.00 0.00 32.46 26.32 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 -2.79 5.09 -0.02 0.55 2.01 -1.22 -3.94 115.64 115.32 3kwc s THR 66 Ca 0.00 0.75 0.04 0.00 0.31 0.00 0.00 61.69 62.79 3kwc s THR 66 Cb 0.00 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 3kwc s THR 66 CO 0.00 0.57 -0.12 0.54 -0.69 0.00 0.00 174.62 174.93 3kwc s ASN 67 N -1.10 4.24 -0.28 3.53 2.20 -0.47 -2.53 114.94 120.53 3kwc s ASN 67 Ca 0.23 -0.19 0.03 0.00 -0.94 0.00 0.00 52.86 51.98 3kwc s ASN 67 Cb -0.16 -0.92 0.07 0.00 -2.00 0.00 0.00 41.25 38.24 3kwc s ASN 67 CO 0.12 0.32 -0.07 -0.63 -2.94 0.00 0.00 177.10 173.90 3kwc s ILE 68 N -0.84 2.27 0.51 0.54 -1.09 0.87 -1.08 121.20 122.37 3kwc s ILE 68 Ca 0.14 -1.73 -0.01 0.00 -2.23 0.00 0.00 60.65 56.81 3kwc s ILE 68 Cb -0.11 -2.39 0.10 0.00 -1.58 0.00 0.00 42.46 38.48 3kwc s ILE 68 CO 0.03 -0.13 0.70 0.00 -1.23 0.00 0.00 174.94 174.31 3kwc n GLN 69 N 4.42 0.02 -1.73 2.79 6.02 -0.14 -0.53 117.38 128.24 3kwc n GLN 69 Ca -0.11 -1.80 -0.42 0.00 -0.01 0.00 0.00 57.00 54.66 3kwc n GLN 69 Cb 0.42 -0.50 -0.02 0.00 1.02 0.00 0.00 30.24 31.16 3kwc n GLN 69 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3kwc n ASP 70 N -3.00 3.67 -0.53 1.08 9.92 -1.26 -2.91 116.55 123.52 3kwc n ASP 70 Ca 0.11 1.13 -0.07 0.00 -0.53 0.00 0.00 54.79 55.44 3kwc n ASP 70 Cb 0.40 -1.56 -0.03 0.00 -0.64 0.00 0.00 41.12 39.29 3kwc n ASP 70 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kwc n GLY 71 N 2.42 0.89 3.78 0.44 0.00 -0.93 -0.86 105.19 110.93 3kwc n GLY 71 Ca 0.10 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.15 3.47 -0.06 1.61 1.01 -1.15 -4.29 120.40 118.84 3kwc s VAL 72 Ca 0.00 1.07 0.04 0.00 0.00 0.00 0.00 61.98 63.09 3kwc s VAL 72 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.86 3kwc s VAL 72 CO 0.00 -0.04 -0.17 -0.69 0.00 0.00 0.00 175.10 174.20 3kwc s VAL 73 N -1.67 1.46 -0.09 2.92 1.01 -1.08 -1.56 120.40 121.40 3kwc s VAL 73 Ca 0.62 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.92 3kwc s VAL 73 Cb -0.24 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 34.88 3kwc s VAL 73 CO 0.29 0.42 -0.15 -0.63 0.00 0.00 0.00 175.10 175.03 3kwc s ILE 74 N 0.25 1.40 0.32 2.22 1.01 -0.69 -1.43 121.20 124.29 3kwc s ILE 74 Ca -0.09 -0.61 -0.11 0.00 0.00 0.00 0.00 60.65 59.84 3kwc s ILE 74 Cb -0.14 -1.27 0.02 0.00 0.01 0.00 0.00 42.46 41.08 3kwc s ILE 74 CO 0.04 0.42 0.58 -2.28 0.00 0.00 0.00 174.94 173.69 3kwc s HIS 75 N 0.78 0.50 -0.08 3.97 2.46 -1.04 -1.35 115.29 120.53 3kwc s HIS 75 Ca -0.12 -0.91 -0.23 0.00 0.47 0.00 0.00 55.06 54.28 3kwc s HIS 75 Cb -0.16 0.31 0.05 0.00 -0.13 0.00 0.00 32.58 32.65 3kwc s HIS 75 CO 0.02 -1.22 0.53 0.20 -2.47 0.00 0.00 174.74 171.80 3kwc s GLY 76 N -3.10 -0.40 0.45 1.59 0.00 -1.26 -0.39 107.32 104.22 3kwc s GLY 76 Ca 0.22 1.06 -0.24 0.00 0.00 0.00 0.00 44.72 45.76 3kwc s GLY 76 CO 0.13 0.78 1.31 1.08 0.00 0.00 0.00 173.10 176.40 3kwc s LEU 77 N -0.86 4.08 0.15 0.66 1.43 -0.79 -1.36 118.68 122.00 3kwc s LEU 77 Ca -0.09 2.66 -0.16 0.00 -1.03 0.00 0.00 54.13 55.50 3kwc s LEU 77 Cb -0.03 -4.06 0.02 0.00 0.03 0.00 0.00 46.19 42.16 3kwc s LEU 77 CO 0.06 -1.08 1.81 -0.61 0.23 0.00 0.00 176.35 176.76 3kwc h GLN 78 N 2.23 0.51 -5.90 1.70 -0.00 -1.92 -3.11 115.11 108.62 3kwc h GLN 78 Ca -0.50 -0.03 -0.63 0.00 -0.00 0.00 0.00 58.65 57.49 3kwc h GLN 78 Cb 1.26 -0.11 -0.05 0.00 0.00 0.00 0.00 27.48 28.58 3kwc h GLN 78 CO 0.61 0.34 -0.40 -0.65 0.00 0.00 0.00 178.83 178.72 3kwc s GLN 79 N -6.16 3.55 0.00 1.69 -1.52 -1.26 -4.59 119.66 111.38 3kwc s GLN 79 Ca -0.13 -0.13 0.00 0.00 -1.95 0.00 0.00 55.36 53.15 3kwc s GLN 79 Cb 0.11 -3.07 0.00 0.00 -0.22 0.00 0.00 33.01 29.83 3kwc s GLN 79 CO 0.72 0.64 0.00 0.41 -0.25 0.00 0.00 175.29 176.82 3kwc n GLY 80 N 1.02 2.20 3.23 3.09 0.00 -1.26 -4.80 105.19 108.67 3kwc n GLY 80 Ca -0.11 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.97 0.99 0.19 1.61 1.81 -1.26 -4.43 118.95 113.88 3kwc s ARG 81 Ca 0.00 -1.41 0.10 0.00 -1.72 0.00 0.00 55.73 52.70 3kwc s ARG 81 Cb 0.00 -0.51 -0.04 0.00 -0.45 0.00 0.00 34.95 33.95 3kwc s ARG 81 CO 0.00 0.05 -0.13 0.14 -0.68 0.00 0.00 175.30 174.68 3kwc s VAL 82 N -3.36 2.99 -0.37 3.52 -7.23 0.63 -4.94 120.40 111.63 3kwc s VAL 82 Ca 0.15 -1.76 -0.20 0.00 -1.81 0.00 0.00 61.98 58.36 3kwc s VAL 82 Cb 0.03 -2.48 0.01 0.00 0.56 0.00 0.00 36.38 34.50 3kwc s VAL 82 CO -0.01 -0.12 0.59 -0.63 -0.31 0.00 0.00 175.10 174.61 3kwc s ILE 83 N -1.73 4.93 0.95 -0.62 -1.09 -1.26 -0.43 121.20 121.96 3kwc s ILE 83 Ca 0.24 0.37 -0.14 0.00 -2.23 0.00 0.00 60.65 58.89 3kwc s ILE 83 Cb -0.08 -4.06 0.17 0.00 -1.58 0.00 0.00 42.46 36.90 3kwc s ILE 83 CO 0.14 -0.34 1.18 -0.83 -1.23 0.00 0.00 174.94 173.87 3kwc s GLY 84 N 1.82 1.63 0.57 6.18 0.00 -0.16 -4.92 107.32 112.45 3kwc s GLY 84 Ca 0.22 -0.77 0.34 0.00 0.00 0.00 0.00 44.72 44.51 3kwc s GLY 84 CO 0.15 -0.12 2.10 -0.55 0.00 0.00 0.00 173.10 174.68 3kwc h ASP 85 N -1.64 0.00 -0.04 1.64 3.45 -1.98 -1.13 116.42 116.73 3kwc h ASP 85 Ca -0.48 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.98 3kwc h ASP 85 Cb 1.30 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.07 3kwc h ASP 85 CO 0.53 0.05 0.00 -0.90 -1.57 0.00 0.00 179.24 177.34 3kwc n ASP 86 N -3.25 0.30 0.00 6.45 5.75 -1.26 -4.90 116.55 119.64 3kwc n ASP 86 Ca -0.01 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 3kwc n ASP 86 Cb 0.23 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 3kwc n ASP 86 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kwc n GLY 87 N 0.75 0.44 3.96 6.12 0.00 -0.43 -5.02 105.19 111.02 3kwc n GLY 87 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.47 3.46 -0.08 1.61 -1.52 -1.26 -4.86 119.66 116.53 3kwc s GLN 88 Ca 0.00 -0.60 -0.22 0.00 -1.95 0.00 0.00 55.36 52.59 3kwc s GLN 88 Cb 0.00 -2.82 -0.04 0.00 -0.22 0.00 0.00 33.01 29.93 3kwc s GLN 88 CO 0.00 0.35 0.66 -1.21 -0.25 0.00 0.00 175.29 174.84 3kwc s GLU 89 N -4.00 4.41 0.13 2.91 2.02 -1.26 -0.98 118.70 121.93 3kwc s GLU 89 Ca 0.36 0.79 0.07 0.00 0.02 0.00 0.00 54.97 56.22 3kwc s GLU 89 Cb -0.09 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 3kwc s GLU 89 CO 0.31 0.06 -0.17 0.71 0.02 0.00 0.00 175.26 176.18 3kwc s TYR 90 N 0.85 1.66 -0.01 1.61 1.51 0.43 -4.54 117.35 118.86 3kwc s TYR 90 Ca 0.35 -0.48 -0.23 0.00 -1.01 0.00 0.00 57.07 55.70 3kwc s TYR 90 Cb -0.17 -0.86 -0.20 0.00 -0.11 0.00 0.00 41.96 40.62 3kwc s TYR 90 CO 0.16 0.23 1.16 1.03 -1.11 0.00 0.00 175.55 177.02 3kwc h SER 91 N 3.56 0.30 -3.27 2.29 0.87 -1.47 0.18 113.55 116.01 3kwc h SER 91 Ca -0.42 -0.66 -0.47 0.00 -1.23 0.00 0.00 61.79 59.01 3kwc h SER 91 Cb 1.20 -0.09 -0.37 0.00 -0.44 0.00 0.00 62.40 62.70 3kwc h SER 91 CO 0.48 0.91 -0.78 -0.69 -0.53 0.00 0.00 176.83 176.22 3kwc s VAL 92 N -3.60 0.66 -0.20 2.23 1.01 -1.19 -1.33 120.40 117.98 3kwc s VAL 92 Ca -0.15 -0.09 -0.00 0.00 0.00 0.00 0.00 61.98 61.74 3kwc s VAL 92 Cb 0.03 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.69 3kwc s VAL 92 CO 0.75 0.30 -0.14 0.86 0.00 0.00 0.00 175.10 176.87 3kwc s TRP 93 N 1.63 2.90 -0.20 5.22 -0.11 -0.45 -1.03 118.94 126.89 3kwc s TRP 93 Ca 0.01 -1.53 -0.02 0.00 1.22 0.00 0.00 56.10 55.78 3kwc s TRP 93 Cb -0.13 -1.98 0.00 0.00 -1.50 0.00 0.00 33.47 29.86 3kwc s TRP 93 CO -0.05 -0.75 -0.11 0.42 -4.62 0.00 0.00 176.95 171.85 3kwc s ILE 94 N 1.32 2.85 0.00 5.86 1.01 -0.35 -1.04 121.20 130.85 3kwc s ILE 94 Ca 0.03 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3kwc s ILE 94 Cb -0.14 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.06 3kwc s ILE 94 CO -0.09 0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.93 3kwc n GLY 95 N 4.72 -2.33 3.84 6.18 0.00 -0.02 -1.07 105.19 116.52 3kwc n GLY 95 Ca -0.19 -1.42 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.51 6.63 -1.47 1.61 -0.00 -1.26 -3.00 116.67 117.67 3kwc s ASP 96 Ca 0.00 1.58 -0.10 0.00 -0.00 0.00 0.00 52.55 54.02 3kwc s ASP 96 Cb 0.00 -2.51 0.06 0.00 -0.00 0.00 0.00 42.92 40.47 3kwc s ASP 96 CO 0.00 -0.58 0.93 0.59 -0.00 0.00 0.00 175.17 176.11 3kwc n ASN 97 N -1.55 -4.05 -4.68 0.27 3.02 -0.18 -1.28 115.26 106.81 3kwc n ASN 97 Ca 0.07 -0.77 -0.34 0.00 -0.03 0.00 0.00 54.58 53.50 3kwc n ASN 97 Cb 0.54 -4.00 -0.09 0.00 -0.61 0.00 0.00 39.78 35.62 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 -3.39 4.26 -0.34 2.41 1.01 -1.26 -3.08 120.40 120.01 3kwc s VAL 98 Ca 0.50 -0.34 -0.09 0.00 0.00 0.00 0.00 61.98 62.06 3kwc s VAL 98 Cb -0.25 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.34 3kwc s VAL 98 CO 0.82 0.55 0.15 -0.44 0.00 0.00 0.00 175.10 176.18 3kwc s SER 99 N -1.04 5.50 -0.60 3.32 0.01 -0.71 -1.37 113.70 118.80 3kwc s SER 99 Ca 0.15 -0.91 -0.16 0.00 1.31 0.00 0.00 55.95 56.33 3kwc s SER 99 Cb -0.11 -1.96 0.14 0.00 0.21 0.00 0.00 66.02 64.29 3kwc s SER 99 CO 0.04 -0.31 0.60 -0.63 0.41 0.00 0.00 173.24 173.35 3kwc s ILE 100 N 1.52 5.17 0.72 1.44 -1.09 -0.24 -1.26 121.20 127.45 3kwc s ILE 100 Ca 0.02 -1.53 -0.03 0.00 -2.23 0.00 0.00 60.65 56.88 3kwc s ILE 100 Cb -0.19 -4.40 0.15 0.00 -1.58 0.00 0.00 42.46 36.44 3kwc s ILE 100 CO 0.05 -0.96 0.98 0.35 -1.23 0.00 0.00 174.94 174.13 3kwc n THR 101 N 5.14 0.00 -1.64 2.92 -2.24 -0.84 -0.97 114.28 116.64 3kwc n THR 101 Ca -0.08 -1.33 -0.52 0.00 -2.27 0.00 0.00 64.05 59.85 3kwc n THR 101 Cb 0.42 -1.06 -0.06 0.00 -2.10 0.00 0.00 70.33 67.53 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 -2.94 1.87 -1.08 4.78 8.25 -1.26 -1.71 115.22 123.13 3kwc n HIS 102 Ca 0.15 0.47 -0.03 0.00 -0.26 0.00 0.00 57.72 58.06 3kwc n HIS 102 Cb 0.54 -2.44 -0.01 0.00 1.12 0.00 0.00 29.99 29.20 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 3.80 -0.92 -2.07 -0.41 2.81 -0.04 -0.97 117.12 119.32 3kwc n MET 103 Ca 0.20 0.41 -0.36 0.00 -1.81 0.00 0.00 57.70 56.14 3kwc n MET 103 Cb 0.21 -4.20 0.02 0.00 -0.71 0.00 0.00 33.22 28.54 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 -1.74 2.65 -0.19 3.04 0.00 -0.69 -4.15 121.76 120.68 3kwc s ALA 104 Ca 0.00 1.00 0.01 0.00 0.00 0.00 0.00 51.96 52.97 3kwc s ALA 104 Cb 0.00 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.71 3kwc s ALA 104 CO 0.00 -1.05 -0.18 -1.17 0.00 0.00 0.00 175.76 173.36 3kwc s LEU 105 N -3.83 2.22 -0.29 0.00 2.96 -0.72 -2.62 118.68 116.40 3kwc s LEU 105 Ca 0.74 -0.71 -0.05 0.00 -0.22 0.00 0.00 54.13 53.89 3kwc s LEU 105 Cb -0.30 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 44.96 3kwc s LEU 105 CO 0.33 -0.03 0.04 -0.63 -1.32 0.00 0.00 176.35 174.75 3kwc s ILE 106 N 1.29 3.53 -0.19 6.68 -1.09 -0.51 -1.67 121.20 129.24 3kwc s ILE 106 Ca 0.04 -0.94 0.01 0.00 -2.23 0.00 0.00 60.65 57.53 3kwc s ILE 106 Cb -0.14 -2.87 0.03 0.00 -1.58 0.00 0.00 42.46 37.91 3kwc s ILE 106 CO -0.12 0.04 -0.15 -2.28 -1.23 0.00 0.00 174.94 171.21 3kwc s HIS 107 N 1.41 2.65 0.56 3.97 2.46 0.11 -2.50 115.29 123.95 3kwc s HIS 107 Ca 0.00 -1.67 -0.21 0.00 0.47 0.00 0.00 55.06 53.65 3kwc s HIS 107 Cb -0.18 -1.79 -0.04 0.00 -0.13 0.00 0.00 32.58 30.44 3kwc s HIS 107 CO 0.00 -0.78 1.34 0.20 -2.47 0.00 0.00 174.74 173.04 3kwc s GLY 108 N 1.32 2.88 0.05 1.59 0.00 0.48 -3.11 107.32 110.53 3kwc s GLY 108 Ca 0.01 1.30 -0.31 0.00 0.00 0.00 0.00 44.72 45.73 3kwc s GLY 108 CO -0.10 1.81 1.30 -4.14 0.00 0.00 0.00 173.10 171.97 3kwc s PRO 109 N -2.99 4.36 -0.15 2.90 0.02 -1.26 -1.88 135.00 136.00 3kwc s PRO 109 Ca 0.73 1.90 -0.10 0.00 0.02 0.00 0.00 61.00 63.55 3kwc s PRO 109 Cb -0.40 -3.39 0.05 0.00 0.02 0.00 0.00 34.50 30.78 3kwc s PRO 109 CO 0.46 -0.40 0.38 0.00 -0.33 0.00 0.00 177.00 177.11 3kwc s ALA 110 N 1.50 -0.96 -0.09 -1.55 0.00 -0.44 -1.32 121.76 118.90 3kwc s ALA 110 Ca 0.61 1.30 0.04 0.00 0.00 0.00 0.00 51.96 53.92 3kwc s ALA 110 Cb -0.32 -0.78 -0.00 0.00 0.00 0.00 0.00 23.12 22.02 3kwc s ALA 110 CO 0.28 -0.23 -0.24 -0.47 0.00 0.00 0.00 175.76 175.11 3kwc s TYR 111 N 0.92 2.54 -0.18 0.00 6.14 -0.81 -1.34 117.35 124.61 3kwc s TYR 111 Ca -0.06 -0.93 -0.01 0.00 0.64 0.00 0.00 57.07 56.71 3kwc s TYR 111 Cb -0.06 -1.68 0.05 0.00 0.42 0.00 0.00 41.96 40.68 3kwc s TYR 111 CO -0.07 -0.35 -0.02 0.42 0.64 0.00 0.00 175.55 176.17 3kwc s ILE 112 N 0.19 0.92 0.93 3.14 1.01 -0.21 -0.82 121.20 126.36 3kwc s ILE 112 Ca -0.14 -0.64 -0.12 0.00 0.00 0.00 0.00 60.65 59.75 3kwc s ILE 112 Cb -0.17 -1.22 0.15 0.00 0.01 0.00 0.00 42.46 41.23 3kwc s ILE 112 CO 0.07 -0.01 1.11 -0.83 0.00 0.00 0.00 174.94 175.28 3kwc s GLY 113 N 1.70 1.58 0.39 6.18 0.00 -0.10 -0.84 107.32 116.24 3kwc s GLY 113 Ca -0.01 -0.38 -0.25 0.00 0.00 0.00 0.00 44.72 44.08 3kwc s GLY 113 CO -0.07 0.18 1.08 1.22 0.00 0.00 0.00 173.10 175.51 3kwc n ASP 114 N -3.89 1.64 0.00 1.64 10.43 -1.26 -3.13 116.55 121.99 3kwc n ASP 114 Ca 0.06 1.09 0.00 0.00 2.57 0.00 0.00 54.79 58.51 3kwc n ASP 114 Cb 0.58 -1.38 0.00 0.00 1.84 0.00 0.00 41.12 42.15 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 1.08 0.53 3.79 0.44 0.00 -0.41 -1.24 105.19 109.38 3kwc n GLY 115 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.94 2.80 -0.33 0.00 5.36 -0.34 -1.74 117.98 121.79 3kwc s PHE 117 Ca 0.68 -1.56 -0.06 0.00 -0.96 0.00 0.00 56.93 55.03 3kwc s PHE 117 Cb -0.17 -1.94 0.04 0.00 -0.34 0.00 0.00 43.02 40.60 3kwc s PHE 117 CO 0.21 -0.78 0.09 0.42 -1.46 0.00 0.00 175.22 173.70 3kwc s ILE 118 N 1.31 3.70 1.20 3.12 -1.09 -0.39 -0.35 121.20 128.70 3kwc s ILE 118 Ca 0.05 -1.12 -0.20 0.00 -2.23 0.00 0.00 60.65 57.16 3kwc s ILE 118 Cb -0.13 -3.08 0.29 0.00 -1.58 0.00 0.00 42.46 37.96 3kwc s ILE 118 CO -0.12 -0.14 1.14 -0.83 -1.23 0.00 0.00 174.94 173.76 3kwc s GLY 119 N 1.39 1.61 0.19 6.18 0.00 0.35 -2.00 107.32 115.05 3kwc s GLY 119 Ca -0.02 -1.05 -0.32 0.00 0.00 0.00 0.00 44.72 43.33 3kwc s GLY 119 CO 0.02 -0.15 1.74 -1.36 0.00 0.00 0.00 173.10 173.36 3kwc s PHE 120 N -3.12 2.72 -1.68 1.90 2.99 -1.26 -2.60 117.98 116.94 3kwc s PHE 120 Ca 0.72 0.26 0.00 0.00 0.00 0.00 0.00 56.93 57.91 3kwc s PHE 120 Cb -0.08 -4.14 0.00 0.00 0.00 0.00 0.00 43.02 38.80 3kwc s PHE 120 CO 0.55 -4.43 0.00 -2.13 -0.00 0.00 0.00 175.22 169.22 3kwc n ARG 121 N 4.41 -1.30 -3.95 0.44 0.63 -0.14 -1.04 116.66 115.70 3kwc n ARG 121 Ca 0.16 0.98 -0.29 0.00 -0.92 0.00 0.00 57.85 57.78 3kwc n ARG 121 Cb 0.36 -5.33 -0.04 0.00 0.45 0.00 0.00 32.46 27.89 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 -2.52 6.21 -0.05 6.15 0.01 -1.07 -4.24 113.70 118.19 3kwc s SER 122 Ca 0.00 0.19 0.05 0.00 1.31 0.00 0.00 55.95 57.50 3kwc s SER 122 Cb 0.00 -1.86 -0.01 0.00 0.21 0.00 0.00 66.02 64.36 3kwc s SER 122 CO 0.00 0.13 -0.21 -0.89 0.41 0.00 0.00 173.24 172.68 3kwc s THR 123 N -1.57 1.76 -0.16 1.44 2.01 -0.03 -1.75 115.64 117.34 3kwc s THR 123 Ca 0.34 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.45 3kwc s THR 123 Cb -0.12 -1.50 0.02 0.00 0.01 0.00 0.00 72.50 70.91 3kwc s THR 123 CO 0.27 0.50 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.80 3kwc s VAL 124 N -0.13 2.06 -0.09 3.82 1.01 -0.67 -0.88 120.40 125.52 3kwc s VAL 124 Ca -0.02 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 3kwc s VAL 124 Cb -0.12 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.46 3kwc s VAL 124 CO 0.02 0.54 0.19 0.12 0.00 0.00 0.00 175.10 175.98 3kwc s PHE 125 N 1.09 -0.25 -1.32 5.22 5.36 -0.55 -0.71 117.98 126.82 3kwc s PHE 125 Ca 0.00 0.68 -0.01 0.00 -0.96 0.00 0.00 56.93 56.63 3kwc s PHE 125 Cb -0.14 -0.10 -0.00 0.00 -0.34 0.00 0.00 43.02 42.44 3kwc s PHE 125 CO -0.08 -0.25 0.62 -1.71 -1.46 0.00 0.00 175.22 172.34 3kwc n ASN 126 N 4.76 -1.22 -3.78 6.13 5.15 -0.44 -2.40 115.26 123.46 3kwc n ASN 126 Ca -0.16 -0.89 -0.10 0.00 -0.60 0.00 0.00 54.58 52.83 3kwc n ASN 126 Cb 0.51 -3.71 -0.07 0.00 -0.53 0.00 0.00 39.78 35.98 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 -3.75 -0.53 -0.16 5.20 0.00 -1.01 -1.74 121.76 119.76 3kwc s ALA 127 Ca 0.04 -0.25 -0.00 0.00 0.00 0.00 0.00 51.96 51.75 3kwc s ALA 127 Cb -0.01 0.43 -0.00 0.00 0.00 0.00 0.00 23.12 23.54 3kwc s ALA 127 CO 0.84 -0.48 -0.15 0.50 0.00 0.00 0.00 175.76 176.48 3kwc s ARG 128 N -3.19 3.21 -0.31 0.00 3.52 -0.78 -1.93 118.95 119.48 3kwc s ARG 128 Ca -0.00 -0.74 -0.04 0.00 -0.13 0.00 0.00 55.73 54.81 3kwc s ARG 128 Cb 0.01 -2.66 0.04 0.00 -1.56 0.00 0.00 34.95 30.78 3kwc s ARG 128 CO -0.07 -0.03 0.04 0.08 -0.81 0.00 0.00 175.30 174.51 3kwc s VAL 129 N 0.93 3.36 0.81 7.11 1.01 0.00 -1.01 120.40 132.60 3kwc s VAL 129 Ca -0.03 -1.18 -0.13 0.00 0.00 0.00 0.00 61.98 60.64 3kwc s VAL 129 Cb -0.15 -2.87 0.09 0.00 0.00 0.00 0.00 36.38 33.45 3kwc s VAL 129 CO -0.02 -0.07 1.20 -0.83 0.00 0.00 0.00 175.10 175.38 3kwc s GLY 130 N 1.34 2.11 0.27 4.51 0.00 -0.62 -0.92 107.32 114.00 3kwc s GLY 130 Ca -0.03 0.80 -0.30 0.00 0.00 0.00 0.00 44.72 45.20 3kwc s GLY 130 CO 0.00 1.22 1.27 0.00 0.00 0.00 0.00 173.10 175.60 3kwc n ALA 131 N -3.36 0.67 -0.87 3.20 0.00 -1.26 -3.01 120.51 115.87 3kwc n ALA 131 Ca 0.13 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3kwc n ALA 131 Cb 0.51 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 1.61 0.57 3.76 0.00 0.00 -0.37 -1.32 105.19 109.44 3kwc n GLY 132 Ca 0.10 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.17 2.62 -0.24 0.00 1.01 -0.65 -1.19 120.40 120.78 3kwc s VAL 134 Ca 0.47 -1.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.45 3kwc s VAL 134 Cb -0.35 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 3kwc s VAL 134 CO 0.46 -0.38 0.13 -0.69 0.00 0.00 0.00 175.10 174.62 3kwc s VAL 135 N 1.07 5.11 0.00 2.92 1.01 0.52 -1.63 120.40 129.40 3kwc s VAL 135 Ca 0.02 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.09 3kwc s VAL 135 Cb -0.20 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.80 3kwc s VAL 135 CO -0.05 0.35 0.00 0.23 0.00 0.00 0.00 175.10 175.63 3kwc n MET 136 N 4.34 3.26 -3.61 2.72 2.81 -0.60 -0.49 117.12 125.54 3kwc n MET 136 Ca -0.15 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.40 3kwc n MET 136 Cb 0.52 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.98 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 1.38 3.71 -1.29 0.03 1.00 -1.26 -3.51 119.30 119.35 3kwc s MET 137 Ca 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 55.69 55.74 3kwc s MET 137 Cb 0.00 -2.96 0.01 0.00 0.00 0.00 0.00 34.83 31.88 3kwc s MET 137 CO 0.00 0.54 1.00 0.72 0.00 0.00 0.00 175.02 177.28 3kwc n HIS 138 N 0.72 -2.35 -4.35 -0.03 8.25 -0.21 -0.65 115.22 116.60 3kwc n HIS 138 Ca -0.07 0.94 -0.35 0.00 -0.26 0.00 0.00 57.72 57.99 3kwc n HIS 138 Cb 0.52 -4.87 -0.10 0.00 1.12 0.00 0.00 29.99 26.66 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 -3.40 4.26 -0.20 1.59 1.01 -1.26 -2.98 120.40 119.43 3kwc s VAL 139 Ca 0.22 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 3kwc s VAL 139 Cb -0.10 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 3kwc s VAL 139 CO 0.75 0.57 0.03 -0.22 0.00 0.00 0.00 175.10 176.23 3kwc s LEU 140 N -0.53 3.47 -0.14 3.92 2.96 -0.62 -0.85 118.68 126.89 3kwc s LEU 140 Ca 0.09 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.92 3kwc s LEU 140 Cb -0.12 -1.88 0.01 0.00 0.50 0.00 0.00 46.19 44.70 3kwc s LEU 140 CO 0.02 0.09 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.29 3kwc s ILE 141 N 0.86 2.04 -0.15 6.68 1.01 -0.06 0.40 121.20 131.97 3kwc s ILE 141 Ca 0.02 -0.97 -0.10 0.00 0.00 0.00 0.00 60.65 59.60 3kwc s ILE 141 Cb -0.14 -1.80 0.05 0.00 0.01 0.00 0.00 42.46 40.58 3kwc s ILE 141 CO 0.02 0.55 0.38 -1.58 0.00 0.00 0.00 174.94 174.31 3kwc s GLN 142 N 0.79 0.39 -1.62 2.79 0.74 -0.63 -1.48 119.66 120.64 3kwc s GLN 142 Ca -0.08 0.65 -0.03 0.00 0.05 0.00 0.00 55.36 55.95 3kwc s GLN 142 Cb -0.16 0.05 0.00 0.00 1.10 0.00 0.00 33.01 34.01 3kwc s GLN 142 CO -0.01 -0.12 0.44 -0.25 -0.55 0.00 0.00 175.29 174.80 3kwc n ASP 143 N 3.73 -6.07 -4.14 6.67 10.43 -0.71 -4.28 116.55 122.17 3kwc n ASP 143 Ca -0.20 -0.21 -0.12 0.00 2.57 0.00 0.00 54.79 56.83 3kwc n ASP 143 Cb 0.56 -4.94 -0.09 0.00 1.84 0.00 0.00 41.12 38.49 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 -3.14 0.00 -0.19 2.53 -7.23 -1.23 -4.69 120.40 106.45 3kwc s VAL 144 Ca 0.22 -1.94 -0.00 0.00 -1.81 0.00 0.00 61.98 58.44 3kwc s VAL 144 Cb -0.10 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.38 3kwc s VAL 144 CO 0.27 0.00 -0.16 -0.70 -0.31 0.00 0.00 175.10 174.20 3kwc s GLU 145 N -4.11 3.06 -0.22 4.82 2.12 -1.26 -1.86 118.70 121.25 3kwc s GLU 145 Ca 0.38 -0.80 -0.19 0.00 0.36 0.00 0.00 54.97 54.72 3kwc s GLU 145 Cb 0.06 -2.69 -0.03 0.00 0.26 0.00 0.00 34.13 31.73 3kwc s GLU 145 CO 0.12 -0.22 0.55 0.42 -0.54 0.00 0.00 175.26 175.59 3kwc s ILE 146 N 1.33 5.07 0.96 -3.70 -1.09 -0.18 -4.78 121.20 118.81 3kwc s ILE 146 Ca 0.05 1.00 -0.11 0.00 -2.23 0.00 0.00 60.65 59.36 3kwc s ILE 146 Cb -0.14 -3.87 0.17 0.00 -1.58 0.00 0.00 42.46 37.05 3kwc s ILE 146 CO -0.10 0.13 1.13 -2.84 -1.23 0.00 0.00 174.94 172.02 3kwc s PRO 147 N 1.94 0.65 0.70 2.79 0.02 -1.26 -1.59 135.00 138.25 3kwc s PRO 147 Ca 0.25 1.43 -0.17 0.00 0.02 0.00 0.00 61.00 62.53 3kwc s PRO 147 Cb -0.16 -1.69 0.01 0.00 0.02 0.00 0.00 34.50 32.69 3kwc s PRO 147 CO 0.09 -2.84 1.22 -2.30 -0.33 0.00 0.00 177.00 172.85 3kwc n PRO 148 N -4.37 0.80 -1.81 5.54 -0.02 -1.26 -3.76 135.00 130.12 3kwc n PRO 148 Ca 0.10 0.33 -0.11 0.00 -2.02 0.00 0.00 63.50 61.81 3kwc n PRO 148 Cb 0.52 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 3kwc n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kwc n GLY 149 N 0.86 0.50 3.93 -1.23 0.00 -0.43 -4.92 105.19 103.89 3kwc n GLY 149 Ca 0.15 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.81 3.45 -0.09 1.61 -0.14 -1.25 -1.09 119.74 118.42 3kwc s LYS 150 Ca 0.00 -0.47 0.00 0.00 -1.36 0.00 0.00 55.97 54.14 3kwc s LYS 150 Cb 0.00 -3.00 -0.03 0.00 -1.68 0.00 0.00 37.83 33.12 3kwc s LYS 150 CO 0.00 0.57 -0.09 -0.47 -0.76 0.00 0.00 175.35 174.60 3kwc s TYR 151 N -1.60 2.87 -0.23 3.18 5.04 -0.31 -1.63 117.35 124.68 3kwc s TYR 151 Ca 0.35 -0.22 0.02 0.00 -2.44 0.00 0.00 57.07 54.79 3kwc s TYR 151 Cb -0.12 -1.77 0.05 0.00 0.35 0.00 0.00 41.96 40.47 3kwc s TYR 151 CO 0.28 0.12 -0.14 0.08 -1.34 0.00 0.00 175.55 174.55 3kwc s VAL 152 N -0.33 2.11 0.84 3.14 1.01 -0.65 -4.14 120.40 122.38 3kwc s VAL 152 Ca 0.04 -1.38 -0.11 0.00 0.00 0.00 0.00 61.98 60.53 3kwc s VAL 152 Cb -0.13 -2.12 0.10 0.00 0.00 0.00 0.00 36.38 34.24 3kwc s VAL 152 CO 0.02 0.16 1.14 -2.84 0.00 0.00 0.00 175.10 173.59 3kwc s PRO 153 N 1.18 1.55 0.34 2.72 0.02 -1.26 -1.56 135.00 137.99 3kwc s PRO 153 Ca -0.04 1.49 -0.29 0.00 0.02 0.00 0.00 61.00 62.18 3kwc s PRO 153 Cb -0.18 -1.79 -0.11 0.00 0.02 0.00 0.00 34.50 32.45 3kwc s PRO 153 CO -0.08 -2.22 1.40 -1.12 -0.33 0.00 0.00 177.00 174.65 3kwc s SER 154 N -2.75 6.59 0.00 2.53 0.01 -1.26 -3.45 113.70 115.37 3kwc s SER 154 Ca 0.67 2.83 0.00 0.00 1.31 0.00 0.00 55.95 60.76 3kwc s SER 154 Cb -0.22 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.35 3kwc s SER 154 CO 0.55 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 174.12 3kwc n GLY 155 N 0.83 0.95 3.75 3.44 0.00 0.17 -4.94 105.19 109.40 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 -0.61 4.37 -0.70 1.61 1.00 -1.22 -4.85 119.30 118.89 3kwc s MET 156 Ca 0.00 2.13 -0.03 0.00 0.00 0.00 0.00 55.69 57.80 3kwc s MET 156 Cb 0.00 -3.14 0.18 0.00 0.00 0.00 0.00 34.83 31.87 3kwc s MET 156 CO 0.00 -0.23 0.54 0.08 0.00 0.00 0.00 175.02 175.41 3kwc s VAL 157 N -0.38 3.90 -0.41 -6.03 1.01 -1.26 -1.59 120.40 115.64 3kwc s VAL 157 Ca 0.54 -3.24 -0.20 0.00 0.00 0.00 0.00 61.98 59.07 3kwc s VAL 157 Cb -0.38 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.51 3kwc s VAL 157 CO 0.44 -0.94 0.62 -0.63 0.00 0.00 0.00 175.10 174.59 3kwc s ILE 158 N -0.46 4.87 0.00 2.22 1.01 0.16 -4.86 121.20 124.14 3kwc s ILE 158 Ca 0.20 0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.08 3kwc s ILE 158 Cb -0.16 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.16 3kwc s ILE 158 CO -0.06 -0.49 0.15 0.35 0.00 0.00 0.00 174.94 174.89 3kwc n THR 159 N 5.74 0.00 -4.57 2.92 -2.24 -1.26 -1.61 114.28 113.26 3kwc n THR 159 Ca -0.02 -0.28 -0.23 0.00 -2.27 0.00 0.00 64.05 61.25 3kwc n THR 159 Cb 0.48 1.24 -0.14 0.00 -2.10 0.00 0.00 70.33 69.81 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 -0.25 1.31 0.35 4.28 -4.23 -1.26 -4.80 115.64 111.04 3kwc s THR 160 Ca 0.00 -0.94 0.06 0.00 -1.18 0.00 0.00 61.69 59.63 3kwc s THR 160 Cb 0.00 -1.14 0.30 0.00 1.34 0.00 0.00 72.50 73.00 3kwc s THR 160 CO 0.00 0.18 1.93 -0.61 -0.54 0.00 0.00 174.62 175.58 3kwc h GLN 161 N 5.20 0.75 -1.00 3.99 5.75 -1.92 -1.63 115.11 126.24 3kwc h GLN 161 Ca -0.38 -0.04 0.15 0.00 -0.15 0.00 0.00 58.65 58.22 3kwc h GLN 161 Cb 1.17 -0.17 -0.09 0.00 1.07 0.00 0.00 27.48 29.45 3kwc h GLN 161 CO 0.45 0.49 0.62 1.96 -2.65 0.00 0.00 178.83 179.71 3kwc h GLN 162 N 0.77 0.87 -0.17 1.69 7.50 -1.98 0.13 115.11 123.91 3kwc h GLN 162 Ca 0.36 -0.05 -0.05 0.00 0.50 0.00 0.00 58.65 59.40 3kwc h GLN 162 Cb 0.38 -0.20 -0.00 0.00 0.05 0.00 0.00 27.48 27.71 3kwc h GLN 162 CO -0.13 0.58 -0.09 1.96 -1.50 0.00 0.00 178.83 179.64 3kwc h GLN 163 N 0.90 0.37 0.00 1.46 4.20 -1.74 -3.25 115.11 117.06 3kwc h GLN 163 Ca 0.53 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 59.06 3kwc h GLN 163 Cb 0.66 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 3kwc h GLN 163 CO -0.31 0.68 -0.07 0.00 -0.67 0.00 0.00 178.83 178.46 3kwc h ALA 164 N 0.68 1.75 -0.00 3.87 0.00 -0.90 -2.65 119.26 122.01 3kwc h ALA 164 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kwc h ALA 164 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3kwc h ALA 164 CO 0.03 0.09 -0.02 -0.25 0.00 0.00 0.00 179.25 179.10 3kwc n ASP 165 N -4.27 0.05 -1.73 0.00 8.00 0.35 -3.98 116.55 114.98 3kwc n ASP 165 Ca -0.03 0.01 -0.18 0.00 0.71 0.00 0.00 54.79 55.30 3kwc n ASP 165 Cb 0.16 -0.32 0.07 0.00 -0.02 0.00 0.00 41.12 41.01 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 -1.33 3.04 -3.61 -1.24 5.12 -1.00 -5.05 116.66 112.60 3kwc n ARG 166 Ca 0.12 -3.86 -0.35 0.00 -1.93 0.00 0.00 57.85 51.82 3kwc n ARG 166 Cb 0.28 -2.13 -0.06 0.00 -1.16 0.00 0.00 32.46 29.39 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 -3.53 4.38 0.65 0.55 1.43 -1.26 -5.08 118.68 115.82 3kwc s LEU 167 Ca 0.49 0.77 -0.14 0.00 -1.03 0.00 0.00 54.13 54.22 3kwc s LEU 167 Cb 0.41 -2.81 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 3kwc s LEU 167 CO 0.01 0.23 1.07 -2.16 0.23 0.00 0.00 176.35 175.73 3kwc s PRO 168 N -1.69 3.00 0.49 1.29 0.04 -1.26 -4.85 135.00 132.03 3kwc s PRO 168 Ca 0.29 1.20 -0.21 0.00 0.04 0.00 0.00 61.00 62.33 3kwc s PRO 168 Cb -0.14 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.34 3kwc s PRO 168 CO 0.16 -1.07 1.10 -0.80 0.04 0.00 0.00 177.00 176.44 3kwc s ASN 169 N -2.99 6.10 0.66 6.66 0.01 -1.26 -1.16 114.94 122.96 3kwc s ASN 169 Ca 0.63 2.13 -0.18 0.00 -0.71 0.00 0.00 52.86 54.73 3kwc s ASN 169 Cb -0.17 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 38.90 3kwc s ASN 169 CO 0.43 -0.95 1.24 1.33 -1.51 0.00 0.00 177.10 177.64 3kwc n VAL 170 N -0.89 4.62 -3.02 1.60 0.24 -0.25 -4.62 118.33 116.01 3kwc n VAL 170 Ca 0.09 -0.48 -0.20 0.00 -2.04 0.00 0.00 64.34 61.71 3kwc n VAL 170 Cb 0.51 -1.43 0.01 0.00 -1.47 0.00 0.00 33.84 31.46 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 -3.34 2.88 0.22 7.34 0.41 -1.26 -5.02 118.70 119.93 3kwc s GLU 171 Ca 0.81 -0.88 -0.08 0.00 -0.41 0.00 0.00 54.97 54.42 3kwc s GLU 171 Cb -0.38 -2.65 0.28 0.00 -1.78 0.00 0.00 34.13 29.60 3kwc s GLU 171 CO 0.42 -0.31 1.82 1.49 -0.49 0.00 0.00 175.26 178.19 3kwc h GLU 172 N 0.49 0.76 -0.64 1.61 4.81 -2.00 -2.40 114.58 117.20 3kwc h GLU 172 Ca -0.43 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.77 3kwc h GLU 172 Cb 1.27 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 3kwc h GLU 172 CO 0.52 0.50 0.42 0.66 -0.73 0.00 0.00 179.01 180.38 3kwc h SER 173 N 0.78 0.70 -0.68 1.04 4.64 -2.00 -1.39 113.55 116.65 3kwc h SER 173 Ca 0.33 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.62 3kwc h SER 173 Cb 0.19 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 3kwc h SER 173 CO -0.18 0.50 0.38 0.44 -0.87 0.00 0.00 176.83 177.09 3kwc h ASP 174 N 0.82 0.84 -0.54 4.97 3.32 -1.83 -1.67 116.42 122.32 3kwc h ASP 174 Ca 0.24 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 3kwc h ASP 174 Cb -0.03 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3kwc h ASP 174 CO -0.06 0.69 0.11 0.40 -1.72 0.00 0.00 179.24 178.66 3kwc h ILE 175 N 0.93 1.25 -0.32 0.35 2.04 -1.13 -1.36 117.51 119.27 3kwc h ILE 175 Ca 0.24 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 3kwc h ILE 175 Cb 0.03 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 3kwc h ILE 175 CO -0.04 0.33 0.05 0.45 0.00 0.00 0.00 178.15 178.95 3kwc h HIS 176 N 0.78 0.56 -0.32 1.37 3.86 -1.28 -2.04 115.15 118.09 3kwc h HIS 176 Ca 0.17 -0.08 0.07 0.00 -1.16 0.00 0.00 60.37 59.37 3kwc h HIS 176 Cb 0.37 -0.15 -0.07 0.00 1.06 0.00 0.00 27.41 28.62 3kwc h HIS 176 CO 0.03 0.60 -0.17 0.35 0.86 0.00 0.00 177.93 179.60 3kwc h PHE 177 N 0.35 -0.41 -0.50 2.45 3.57 -1.19 -1.47 116.94 119.74 3kwc h PHE 177 Ca 0.10 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.65 3kwc h PHE 177 Cb 0.35 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 3kwc h PHE 177 CO 0.02 -0.24 0.31 0.00 -2.23 0.00 0.00 178.31 176.17 3kwc h ALA 178 N 1.11 0.64 0.00 2.41 0.00 -1.13 -2.75 119.26 119.53 3kwc h ALA 178 Ca 0.16 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3kwc h ALA 178 Cb 0.37 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3kwc h ALA 178 CO -0.39 0.02 -0.61 0.37 0.00 0.00 0.00 179.25 178.64 3kwc h GLN 179 N 0.62 0.00 -0.48 0.00 5.75 -1.16 -2.93 115.11 116.91 3kwc h GLN 179 Ca 0.20 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.66 3kwc h GLN 179 Cb -0.01 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 3kwc h GLN 179 CO -0.08 0.61 0.17 1.25 -2.65 0.00 0.00 178.83 178.13 3kwc h HIS 180 N 0.00 0.76 -0.66 3.99 2.76 -1.12 -1.73 115.15 119.14 3kwc h HIS 180 Ca -0.01 -0.07 0.01 0.00 -2.20 0.00 0.00 60.37 58.11 3kwc h HIS 180 Cb 1.28 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.99 3kwc h HIS 180 CO 0.00 0.65 0.43 0.28 -1.30 0.00 0.00 177.93 177.99 3kwc h VAL 181 N 0.64 1.15 -0.21 5.26 2.07 -1.35 0.12 116.25 123.93 3kwc h VAL 181 Ca 0.16 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3kwc h VAL 181 Cb 0.24 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3kwc h VAL 181 CO -0.01 0.16 0.13 0.58 0.02 0.00 0.00 177.57 178.45 3kwc h VAL 182 N 0.87 1.05 -0.77 2.57 2.07 -1.44 -2.48 116.25 118.11 3kwc h VAL 182 Ca 0.25 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 3kwc h VAL 182 Cb -0.07 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 3kwc h VAL 182 CO -0.07 0.05 0.42 1.23 0.02 0.00 0.00 177.57 179.22 3kwc h GLY 183 N 0.28 1.15 0.80 2.17 0.00 -0.78 -1.93 103.07 104.75 3kwc h GLY 183 Ca 0.08 -0.52 0.03 0.00 0.00 0.00 0.00 47.33 46.91 3kwc h GLY 183 CO -0.02 0.50 0.15 -2.22 0.00 0.00 0.00 176.54 174.95 3kwc h ILE 184 N 1.06 0.96 -0.31 2.60 1.08 -0.90 -2.63 117.51 119.38 3kwc h ILE 184 Ca 0.27 -0.11 -0.08 0.00 -0.39 0.00 0.00 64.86 64.55 3kwc h ILE 184 Cb 0.04 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 3kwc h ILE 184 CO -0.04 0.06 -0.16 0.78 -0.69 0.00 0.00 178.15 178.10 3kwc h ASN 185 N 0.31 0.54 -0.96 1.72 2.35 -1.28 -0.91 115.58 117.36 3kwc h ASN 185 Ca 0.14 -0.16 0.04 0.00 -0.55 0.00 0.00 56.30 55.78 3kwc h ASN 185 Cb 0.08 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.24 3kwc h ASN 185 CO -0.12 0.72 0.63 -0.33 -1.65 0.00 0.00 177.43 176.68 3kwc h GLU 186 N 0.50 1.15 -0.30 0.81 5.08 -1.23 -1.62 114.58 118.97 3kwc h GLU 186 Ca 0.09 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 3kwc h GLU 186 Cb 0.56 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3kwc h GLU 186 CO 0.04 0.76 -0.48 0.00 -1.00 0.00 0.00 179.01 178.32 3kwc h ALA 187 N 1.45 0.58 -0.24 3.43 0.00 -1.07 -2.80 119.26 120.61 3kwc h ALA 187 Ca 0.39 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3kwc h ALA 187 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kwc h ALA 187 CO -0.13 0.68 0.12 -0.07 0.00 0.00 0.00 179.25 179.85 3kwc h LEU 188 N 0.64 0.31 -0.45 0.00 3.38 -1.01 -2.08 115.31 116.10 3kwc h LEU 188 Ca 0.03 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.93 3kwc h LEU 188 Cb 1.07 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 3kwc h LEU 188 CO 0.11 0.33 0.21 0.25 0.09 0.00 0.00 178.44 179.43 3kwc h LEU 189 N 0.26 0.28 -0.58 1.67 6.46 -1.31 -0.30 115.31 121.78 3kwc h LEU 189 Ca 0.08 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 3kwc h LEU 189 Cb 0.10 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 3kwc h LEU 189 CO -0.01 0.20 0.37 -1.28 -0.62 0.00 0.00 178.44 177.10 3kwc h SER 190 N 0.41 0.67 -0.37 1.25 0.87 -1.44 -1.87 113.55 113.09 3kwc h SER 190 Ca 0.20 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3kwc h SER 190 Cb 0.13 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 3kwc h SER 190 CO -0.16 0.50 0.22 1.23 -0.53 0.00 0.00 176.83 178.10 3kwc h GLY 191 N 0.78 0.51 1.35 5.77 0.00 -0.89 -1.00 103.07 109.59 3kwc h GLY 191 Ca 0.21 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 3kwc h GLY 191 CO -0.04 0.15 0.11 -0.97 0.00 0.00 0.00 176.54 175.79 3kwc h TYR 192 N 0.45 0.84 -0.40 5.60 0.05 -0.90 -2.18 116.97 120.44 3kwc h TYR 192 Ca 0.14 -0.08 -0.14 0.00 0.05 0.00 0.00 58.73 58.70 3kwc h TYR 192 Cb -0.01 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.48 3kwc h TYR 192 CO -0.07 0.72 -0.32 1.96 -1.05 0.00 0.00 178.16 179.40 3kwc h GLN 193 N 0.79 0.92 -0.86 4.88 4.20 -1.13 -2.91 115.11 120.99 3kwc h GLN 193 Ca 0.17 -0.45 0.13 0.00 0.06 0.00 0.00 58.65 58.56 3kwc h GLN 193 Cb 0.31 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.01 3kwc h GLN 193 CO 0.00 1.11 0.47 0.00 -0.67 0.00 0.00 178.83 179.74 3kwc h ALA 195 N 1.53 1.39 -0.09 0.00 0.00 -1.19 -2.35 119.26 118.53 3kwc h ALA 195 Ca 0.45 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3kwc h ALA 195 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kwc h ALA 195 CO -0.32 0.23 0.00 0.39 0.00 0.00 0.00 179.25 179.55 3kwc n GLU 196 N -3.87 1.85 -4.00 0.00 1.02 -1.05 -4.83 120.64 109.76 3kwc n GLU 196 Ca -0.02 -1.25 -0.34 0.00 -0.02 0.00 0.00 57.16 55.53 3kwc n GLU 196 Cb 0.28 -1.45 -0.15 0.00 -0.02 0.00 0.00 31.44 30.10 3kwc n GLU 196 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3kwc s ASN 197 N -1.83 4.15 0.27 1.62 3.84 -0.89 -5.02 114.94 117.08 3kwc s ASN 197 Ca 0.35 -0.91 -0.02 0.00 0.21 0.00 0.00 52.86 52.50 3kwc s ASN 197 Cb 0.20 -1.62 0.44 0.00 -0.55 0.00 0.00 41.25 39.72 3kwc s ASN 197 CO 0.31 -0.11 1.88 -0.29 -2.79 0.00 0.00 177.10 176.09 3kwc h ILE 198 N 6.19 1.06 -0.09 -5.21 6.09 -1.88 -1.06 117.51 122.61 3kwc h ILE 198 Ca -0.33 -0.39 -0.05 0.00 -1.37 0.00 0.00 64.86 62.72 3kwc h ILE 198 Cb 1.10 -0.19 -0.01 0.00 0.47 0.00 0.00 36.82 38.20 3kwc h ILE 198 CO 0.57 0.21 -0.18 0.00 -3.07 0.00 0.00 178.15 175.68 3kwc h ALA 199 N 1.47 1.53 0.06 0.18 0.00 -1.95 -1.80 119.26 118.76 3kwc h ALA 199 Ca 0.44 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 3kwc h ALA 199 Cb 0.22 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kwc h ALA 199 CO -0.19 0.34 -0.85 0.00 0.00 0.00 0.00 179.25 178.55 3kwc h ILE 201 N -0.66 1.25 -0.41 0.00 6.09 -1.19 -3.37 117.51 119.22 3kwc h ILE 201 Ca -0.19 -2.94 0.08 0.00 -1.37 0.00 0.00 64.86 60.44 3kwc h ILE 201 Cb 1.42 2.73 -0.09 0.00 0.47 0.00 0.00 36.82 41.35 3kwc h ILE 201 CO 0.01 0.80 -0.32 0.00 -3.07 0.00 0.00 178.15 175.57 3kwc h ALA 202 N 0.70 -0.16 -0.51 0.18 0.00 -1.55 0.45 119.26 118.36 3kwc h ALA 202 Ca -0.19 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3kwc h ALA 202 Cb 1.96 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 20.42 3kwc h ALA 202 CO 0.14 -0.72 0.27 -1.35 0.00 0.00 0.00 179.25 177.59 3kwc h PRO 203 N -0.24 0.70 -0.30 0.00 0.11 -1.81 -0.12 132.00 130.35 3kwc h PRO 203 Ca 0.18 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 66.12 3kwc h PRO 203 Cb 0.53 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3kwc h PRO 203 CO -0.54 0.53 -0.20 0.82 -0.21 0.00 0.00 178.00 178.39 3kwc h ILE 204 N 0.71 1.30 -0.62 4.15 2.04 -1.65 -3.14 117.51 120.30 3kwc h ILE 204 Ca 0.18 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 3kwc h ILE 204 Cb 0.04 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 3kwc h ILE 204 CO -0.03 0.43 0.35 -0.09 0.00 0.00 0.00 178.15 178.81 3kwc h ARG 205 N 0.41 0.85 0.00 2.37 9.65 -0.47 -2.90 114.38 124.30 3kwc h ARG 205 Ca 0.06 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3kwc h ARG 205 Cb 0.74 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 3kwc h ARG 205 CO 0.05 0.64 0.00 -0.91 2.80 0.00 0.00 179.97 182.55 3kwc h ASN 206 N 0.84 0.00 0.84 -3.80 2.35 -1.06 -1.99 115.58 112.77 3kwc h ASN 206 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3kwc h ASN 206 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3kwc h ASN 206 CO -0.04 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.12 3kwc n GLU 207 N -2.66 0.04 0.00 0.81 1.02 -1.09 -5.11 120.64 113.65 3kwc n GLU 207 Ca 0.02 0.14 0.14 0.00 -0.02 0.00 0.00 57.16 57.44 3kwc n GLU 207 Cb 0.28 -1.55 0.60 0.00 -0.02 0.00 0.00 31.44 30.75 3kwc n GLU 207 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20