#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 3.22 0.08 1.69 0.15 -1.26 -2.47 113.70 115.12 3kwc s SER 5 Ca 0.00 -0.51 0.05 0.00 0.70 0.00 0.00 55.95 56.19 3kwc s SER 5 Cb 0.00 -1.30 -0.03 0.00 -1.71 0.00 0.00 66.02 62.98 3kwc s SER 5 CO 0.00 0.18 -0.15 -0.31 1.20 0.00 0.00 173.24 174.17 3kwc s TYR 6 N 0.21 1.29 0.54 3.44 2.02 -0.59 -5.03 117.35 119.23 3kwc s TYR 6 Ca -0.14 -0.48 -0.18 0.00 -0.37 0.00 0.00 57.07 55.90 3kwc s TYR 6 Cb -0.17 -0.71 -0.06 0.00 -0.40 0.00 0.00 41.96 40.62 3kwc s TYR 6 CO 0.07 0.08 1.07 0.00 -1.57 0.00 0.00 175.55 175.20 3kwc s ALA 7 N -1.46 2.76 0.44 3.71 0.00 -1.26 -1.74 121.76 124.21 3kwc s ALA 7 Ca 0.01 0.58 -0.24 0.00 0.00 0.00 0.00 51.96 52.31 3kwc s ALA 7 Cb -0.09 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.68 3kwc s ALA 7 CO 0.02 -0.64 1.17 0.00 0.00 0.00 0.00 175.76 176.32 3kwc s ALA 8 N -2.11 3.03 0.52 0.00 0.00 -0.41 -4.49 121.76 118.31 3kwc s ALA 8 Ca 0.67 0.95 -0.17 0.00 0.00 0.00 0.00 51.96 53.41 3kwc s ALA 8 Cb -0.18 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.48 3kwc s ALA 8 CO 0.28 -0.62 0.99 -1.25 0.00 0.00 0.00 175.76 175.17 3kwc s PRO 9 N -2.57 3.90 0.07 0.00 0.04 -1.26 -4.25 135.00 130.92 3kwc s PRO 9 Ca 0.61 0.99 -0.31 0.00 0.04 0.00 0.00 61.00 62.33 3kwc s PRO 9 Cb -0.29 -2.13 -0.07 0.00 0.04 0.00 0.00 34.50 32.05 3kwc s PRO 9 CO 0.36 -0.32 1.38 -1.25 0.04 0.00 0.00 177.00 177.22 3kwc s PRO 10 N -4.04 4.32 0.28 0.56 0.04 -1.26 -4.78 135.00 130.11 3kwc s PRO 10 Ca 0.59 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.68 3kwc s PRO 10 Cb -0.11 -3.38 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 3kwc s PRO 10 CO 0.31 -0.48 0.19 0.95 0.04 0.00 0.00 177.00 178.01 3kwc s THR 11 N 1.60 0.13 0.54 1.26 -4.23 -0.03 -5.01 115.64 109.90 3kwc s THR 11 Ca 0.64 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.37 3kwc s THR 11 Cb -0.34 -2.50 0.32 0.00 1.34 0.00 0.00 72.50 71.31 3kwc s THR 11 CO 0.29 0.00 2.14 -0.65 -0.54 0.00 0.00 174.62 175.86 3kwc h PRO 12 N 2.31 0.00 -0.01 3.99 0.11 -2.01 -3.11 132.00 133.28 3kwc h PRO 12 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3kwc h PRO 12 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kwc h PRO 12 CO 0.47 0.00 -0.55 -2.67 -0.21 0.00 0.00 178.00 175.04 3kwc n TRP 13 N -4.30 0.00 -3.64 0.65 2.14 -1.26 -4.97 117.44 106.06 3kwc n TRP 13 Ca -0.00 0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.44 3kwc n TRP 13 Cb 0.21 -0.06 -0.07 0.00 -0.81 0.00 0.00 31.31 30.58 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 -2.67 -0.76 -0.00 -0.67 0.15 -1.18 -5.05 113.70 103.52 3kwc s SER 14 Ca 0.16 1.41 0.02 0.00 0.70 0.00 0.00 55.95 58.25 3kwc s SER 14 Cb 0.18 1.40 0.04 0.00 -1.71 0.00 0.00 66.02 65.92 3kwc s SER 14 CO 0.65 -0.24 1.01 0.54 1.20 0.00 0.00 173.24 176.40 3kwc n ARG 15 N 3.07 0.02 0.00 5.44 1.74 -1.26 -0.85 116.66 124.81 3kwc n ARG 15 Ca -0.15 -1.10 0.12 0.00 -0.77 0.00 0.00 57.85 55.95 3kwc n ARG 15 Cb 0.56 -0.48 0.27 0.00 -1.02 0.00 0.00 32.46 31.80 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 0.02 0.54 -3.95 0.55 5.68 -1.26 -4.97 116.55 113.15 3kwc n ASP 16 Ca 0.01 -0.29 -0.28 0.00 -0.50 0.00 0.00 54.79 53.73 3kwc n ASP 16 Cb 0.73 0.22 -0.00 0.00 -1.14 0.00 0.00 41.12 40.93 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 -1.42 -2.35 -4.76 -2.12 4.77 -1.26 -4.89 117.00 104.96 3kwc n LEU 17 Ca 0.06 -0.93 -0.35 0.00 -0.03 0.00 0.00 56.01 54.76 3kwc n LEU 17 Cb 0.34 -2.35 0.02 0.00 -2.33 0.00 0.00 43.42 39.10 3kwc n LEU 17 CO 0.34 0.41 0.81 0.00 -1.33 0.00 0.00 177.39 177.61 3kwc s ALA 18 N -3.64 2.62 0.20 -1.18 0.00 -1.26 -4.30 121.76 114.19 3kwc s ALA 18 Ca 0.28 0.90 0.09 0.00 0.00 0.00 0.00 51.96 53.24 3kwc s ALA 18 Cb -0.15 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3kwc s ALA 18 CO 0.87 -0.96 -0.17 -1.21 0.00 0.00 0.00 175.76 174.29 3kwc s GLU 19 N -3.32 1.37 0.53 0.00 2.02 -1.26 -1.29 118.70 116.75 3kwc s GLU 19 Ca 0.75 -1.53 -0.22 0.00 0.02 0.00 0.00 54.97 53.99 3kwc s GLU 19 Cb -0.27 -1.35 -0.06 0.00 0.10 0.00 0.00 34.13 32.55 3kwc s GLU 19 CO 0.30 0.26 1.25 -2.30 0.02 0.00 0.00 175.26 174.78 3kwc n PRO 20 N -0.08 1.56 -3.67 0.39 -0.02 -0.51 -4.48 135.00 128.18 3kwc n PRO 20 Ca -0.10 0.57 -0.39 0.00 -2.02 0.00 0.00 63.50 61.56 3kwc n PRO 20 Cb 0.59 -2.43 -0.11 0.00 -0.02 0.00 0.00 33.50 31.53 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 -2.69 2.51 -0.18 -0.52 2.02 -0.36 -4.94 118.70 114.55 3kwc s GLU 21 Ca 0.70 -1.44 -0.02 0.00 0.02 0.00 0.00 54.97 54.23 3kwc s GLU 21 Cb -0.44 -3.66 -0.01 0.00 0.10 0.00 0.00 34.13 30.12 3kwc s GLU 21 CO 0.51 -0.90 -0.09 0.42 0.02 0.00 0.00 175.26 175.22 3kwc s ILE 22 N 1.37 3.17 0.29 -1.63 1.01 -1.26 -0.40 121.20 123.75 3kwc s ILE 22 Ca 0.02 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 59.79 3kwc s ILE 22 Cb -0.22 -2.39 -0.11 0.00 0.01 0.00 0.00 42.46 39.74 3kwc s ILE 22 CO 0.01 0.47 1.56 0.00 0.00 0.00 0.00 174.94 176.99 3kwc s ALA 23 N 0.98 3.72 0.48 9.38 0.00 -0.72 -4.92 121.76 130.69 3kwc s ALA 23 Ca -0.01 1.53 0.28 0.00 0.00 0.00 0.00 51.96 53.75 3kwc s ALA 23 Cb -0.15 -3.63 1.35 0.00 0.00 0.00 0.00 23.12 20.69 3kwc s ALA 23 CO -0.01 -0.94 1.82 -1.35 0.00 0.00 0.00 175.76 175.29 3kwc h PRO 24 N 4.85 0.16 0.00 0.00 0.11 -1.94 -1.43 132.00 133.75 3kwc h PRO 24 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kwc h PRO 24 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kwc h PRO 24 CO 0.79 0.11 0.00 0.25 -0.21 0.00 0.00 178.00 178.93 3kwc n THR 25 N -4.38 0.07 -1.97 -1.15 -2.24 -1.26 -4.85 114.28 98.50 3kwc n THR 25 Ca 0.23 0.02 -0.32 0.00 -2.27 0.00 0.00 64.05 61.71 3kwc n THR 25 Cb 1.00 -0.54 0.01 0.00 -2.10 0.00 0.00 70.33 68.70 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 -2.79 2.92 -0.14 6.98 0.00 -0.54 -3.74 121.76 124.45 3kwc s ALA 26 Ca 0.20 0.12 -0.00 0.00 0.00 0.00 0.00 51.96 52.28 3kwc s ALA 26 Cb 0.19 -3.14 0.03 0.00 0.00 0.00 0.00 23.12 20.19 3kwc s ALA 26 CO 0.47 -0.72 -0.09 -0.47 0.00 0.00 0.00 175.76 174.95 3kwc s TYR 27 N -2.86 1.81 -0.19 0.00 5.04 -0.37 -4.93 117.35 115.85 3kwc s TYR 27 Ca 0.58 -1.02 -0.04 0.00 -2.44 0.00 0.00 57.07 54.16 3kwc s TYR 27 Cb -0.12 -1.39 -0.02 0.00 0.35 0.00 0.00 41.96 40.77 3kwc s TYR 27 CO 0.45 -0.60 -0.03 0.08 -1.34 0.00 0.00 175.55 174.11 3kwc s VAL 28 N 1.60 3.68 0.35 3.14 1.01 -1.26 -1.70 120.40 127.22 3kwc s VAL 28 Ca 0.04 -0.41 -0.28 0.00 0.00 0.00 0.00 61.98 61.33 3kwc s VAL 28 Cb -0.13 -2.65 -0.10 0.00 0.00 0.00 0.00 36.38 33.50 3kwc s VAL 28 CO -0.09 0.45 1.37 -1.00 0.00 0.00 0.00 175.10 175.83 3kwc s HIS 29 N 0.92 2.87 0.26 5.22 3.76 -0.29 -4.93 115.29 123.10 3kwc s HIS 29 Ca -0.00 1.33 -0.02 0.00 -0.15 0.00 0.00 55.06 56.22 3kwc s HIS 29 Cb -0.15 -3.80 0.54 0.00 1.11 0.00 0.00 32.58 30.29 3kwc s HIS 29 CO 0.01 -2.26 1.70 0.77 -0.85 0.00 0.00 174.74 174.11 3kwc h SER 30 N 3.18 0.17 -0.28 1.40 0.02 -1.96 -3.28 113.55 112.81 3kwc h SER 30 Ca -0.50 0.14 -0.72 0.00 -0.84 0.00 0.00 61.79 59.88 3kwc h SER 30 Cb 1.23 0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.86 3kwc h SER 30 CO 0.65 0.01 2.96 0.33 -1.14 0.00 0.00 176.83 179.64 3kwc n PHE 31 N -5.08 3.33 -3.75 3.45 7.35 -1.26 -4.59 117.46 116.90 3kwc n PHE 31 Ca 0.16 -2.95 -0.09 0.00 -0.76 0.00 0.00 57.45 53.81 3kwc n PHE 31 Cb 0.50 -2.43 -0.04 0.00 0.35 0.00 0.00 39.48 37.87 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 2.63 -0.26 -0.06 -2.13 1.04 -1.24 -0.09 113.70 113.59 3kwc s SER 32 Ca 0.47 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 56.40 3kwc s SER 32 Cb 0.14 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.87 3kwc s SER 32 CO -0.07 -1.08 -0.05 0.21 0.98 0.00 0.00 173.24 173.23 3kwc s ASN 33 N -2.88 1.33 -0.08 7.02 2.47 -0.59 -4.49 114.94 117.72 3kwc s ASN 33 Ca 0.10 -0.16 0.02 0.00 0.42 0.00 0.00 52.86 53.23 3kwc s ASN 33 Cb -0.01 -0.55 0.01 0.00 -1.45 0.00 0.00 41.25 39.25 3kwc s ASN 33 CO -0.02 -0.08 -0.12 -0.76 -3.72 0.00 0.00 177.10 172.41 3kwc s LEU 34 N 1.17 1.59 -0.06 3.21 1.43 -1.03 -1.53 118.68 123.46 3kwc s LEU 34 Ca -0.07 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 3kwc s LEU 34 Cb -0.14 -0.86 0.01 0.00 0.03 0.00 0.00 46.19 45.24 3kwc s LEU 34 CO -0.01 0.01 -0.12 -0.63 0.23 0.00 0.00 176.35 175.83 3kwc s ILE 35 N 0.85 1.08 0.00 -0.59 1.01 -0.27 -1.54 121.20 121.73 3kwc s ILE 35 Ca -0.11 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.09 3kwc s ILE 35 Cb -0.15 -0.99 0.00 0.00 0.01 0.00 0.00 42.46 41.33 3kwc s ILE 35 CO 0.01 0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.90 3kwc n GLY 36 N 3.77 -1.75 3.24 6.18 0.00 -0.71 -0.93 105.19 114.98 3kwc n GLY 36 Ca -0.23 -1.70 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 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 0.09 3.95 -4.35 1.61 4.64 -1.26 -1.43 116.55 119.80 3kwc n ASP 37 Ca 0.00 -2.82 -0.37 0.00 -1.38 0.00 0.00 54.79 50.21 3kwc n ASP 37 Cb 0.00 -1.63 -0.12 0.00 -1.04 0.00 0.00 41.12 38.33 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 5.10 4.01 -0.42 5.18 1.01 -1.26 -1.70 120.40 132.32 3kwc s VAL 38 Ca 0.55 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 3kwc s VAL 38 Cb 0.08 -3.08 0.05 0.00 0.00 0.00 0.00 36.38 33.43 3kwc s VAL 38 CO 0.04 0.06 0.28 -0.13 0.00 0.00 0.00 175.10 175.35 3kwc s ARG 39 N 1.50 2.83 -0.24 2.72 0.52 -0.52 -1.22 118.95 124.55 3kwc s ARG 39 Ca 0.02 -1.23 -0.06 0.00 -0.52 0.00 0.00 55.73 53.95 3kwc s ARG 39 Cb -0.17 -3.89 -0.02 0.00 0.52 0.00 0.00 34.95 31.39 3kwc s ARG 39 CO 0.03 -0.85 0.02 0.42 0.02 0.00 0.00 175.30 174.93 3kwc s ILE 40 N 1.57 3.86 0.21 1.52 1.01 0.46 -1.12 121.20 128.71 3kwc s ILE 40 Ca 0.03 -0.35 -0.00 0.00 0.00 0.00 0.00 60.65 60.33 3kwc s ILE 40 Cb -0.21 -2.80 0.04 0.00 0.01 0.00 0.00 42.46 39.50 3kwc s ILE 40 CO 0.06 0.36 0.29 0.29 0.00 0.00 0.00 174.94 175.95 3kwc n LYS 41 N 4.86 0.40 -1.75 2.79 4.76 -0.58 -1.75 118.16 126.90 3kwc n LYS 41 Ca -0.17 -0.79 -0.42 0.00 -2.87 0.00 0.00 58.31 54.06 3kwc n LYS 41 Cb 0.51 -0.20 -0.00 0.00 -1.84 0.00 0.00 35.03 33.50 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 -2.98 3.41 -2.38 4.39 8.00 -1.26 -3.63 116.55 122.10 3kwc n ASP 42 Ca 0.05 1.22 -0.19 0.00 0.71 0.00 0.00 54.79 56.57 3kwc n ASP 42 Cb 0.17 -1.57 0.01 0.00 -0.02 0.00 0.00 41.12 39.71 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 0.45 -1.25 -3.24 1.24 4.01 -1.25 -1.30 117.16 115.82 3kwc n TYR 43 Ca 0.03 0.19 -0.39 0.00 -0.16 0.00 0.00 57.90 57.58 3kwc n TYR 43 Cb 0.38 -3.88 -0.06 0.00 -0.31 0.00 0.00 39.34 35.47 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 -3.01 4.86 -0.28 -0.72 1.01 -1.24 -3.36 120.40 117.67 3kwc s VAL 44 Ca 0.11 1.22 -0.04 0.00 0.00 0.00 0.00 61.98 63.27 3kwc s VAL 44 Cb -0.05 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.44 3kwc s VAL 44 CO 0.14 0.47 0.02 -2.28 0.00 0.00 0.00 175.10 173.44 3kwc s HIS 45 N -0.50 3.12 -0.23 5.22 2.46 -0.96 -1.24 115.29 123.16 3kwc s HIS 45 Ca 0.30 -1.29 -0.02 0.00 0.47 0.00 0.00 55.06 54.52 3kwc s HIS 45 Cb -0.19 -2.16 0.01 0.00 -0.13 0.00 0.00 32.58 30.11 3kwc s HIS 45 CO 0.17 -0.66 -0.07 0.42 -2.47 0.00 0.00 174.74 172.14 3kwc s ILE 46 N 1.41 2.96 0.56 0.89 1.01 -0.69 0.21 121.20 127.55 3kwc s ILE 46 Ca 0.01 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 59.82 3kwc s ILE 46 Cb -0.17 -2.42 0.03 0.00 0.01 0.00 0.00 42.46 39.90 3kwc s ILE 46 CO -0.01 0.31 0.80 0.00 0.00 0.00 0.00 174.94 176.05 3kwc s ALA 47 N 1.38 3.74 0.55 9.38 0.00 -0.01 -1.14 121.76 135.66 3kwc s ALA 47 Ca 0.03 -1.20 -0.21 0.00 0.00 0.00 0.00 51.96 50.57 3kwc s ALA 47 Cb -0.15 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 20.73 3kwc s ALA 47 CO -0.05 -0.78 1.32 -2.14 0.00 0.00 0.00 175.76 174.11 3kwc s PRO 48 N -4.82 3.13 0.00 0.00 0.02 -1.26 -3.59 135.00 128.48 3kwc s PRO 48 Ca 0.56 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.71 3kwc s PRO 48 Cb -0.10 -2.20 0.00 0.00 0.02 0.00 0.00 34.50 32.22 3kwc s PRO 48 CO 0.40 -1.16 0.00 0.41 -0.33 0.00 0.00 177.00 176.31 3kwc n GLY 49 N 0.70 0.70 3.81 0.52 0.00 0.87 -2.16 105.19 109.62 3kwc n GLY 49 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.77 4.46 -0.17 2.61 -4.23 -1.24 -3.75 115.64 110.55 3kwc s THR 50 Ca 0.00 1.42 -0.02 0.00 -1.18 0.00 0.00 61.69 61.92 3kwc s THR 50 Cb 0.00 -3.85 0.05 0.00 1.34 0.00 0.00 72.50 70.04 3kwc s THR 50 CO 0.00 0.08 -0.01 -0.55 -0.54 0.00 0.00 174.62 173.61 3kwc s SER 51 N -1.78 2.72 -0.29 3.99 0.15 -0.44 -1.55 113.70 116.50 3kwc s SER 51 Ca 0.49 -0.67 -0.02 0.00 0.70 0.00 0.00 55.95 56.45 3kwc s SER 51 Cb -0.16 -0.72 0.04 0.00 -1.71 0.00 0.00 66.02 63.48 3kwc s SER 51 CO 0.21 -0.24 -0.01 -0.63 1.20 0.00 0.00 173.24 173.77 3kwc s ILE 52 N 1.77 3.03 -0.33 6.45 1.01 -0.58 -1.31 121.20 131.24 3kwc s ILE 52 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.39 3kwc s ILE 52 Cb -0.16 -2.69 0.11 0.00 0.01 0.00 0.00 42.46 39.72 3kwc s ILE 52 CO -0.07 -0.04 0.11 -0.60 0.00 0.00 0.00 174.94 174.34 3kwc s ARG 53 N 1.28 0.93 -1.13 2.79 3.52 -0.56 -1.12 118.95 124.67 3kwc s ARG 53 Ca -0.04 -1.35 -0.05 0.00 -0.13 0.00 0.00 55.73 54.16 3kwc s ARG 53 Cb -0.19 -2.25 0.27 0.00 -1.56 0.00 0.00 34.95 31.22 3kwc s ARG 53 CO -0.01 -1.00 1.64 0.00 -0.81 0.00 0.00 175.30 175.11 3kwc n ALA 54 N 4.55 5.38 0.15 6.12 0.00 -0.10 -4.52 120.51 132.09 3kwc n ALA 54 Ca 0.01 -4.65 0.04 0.00 0.00 0.00 0.00 53.44 48.83 3kwc n ALA 54 Cb 0.41 -2.49 -0.05 0.00 0.00 0.00 0.00 19.45 17.31 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 1.76 1.98 0.00 0.00 3.85 -1.26 -4.18 116.55 118.70 3kwc n ASP 55 Ca 0.32 -0.29 0.00 0.00 -0.71 0.00 0.00 54.79 54.11 3kwc n ASP 55 Cb 0.33 1.21 0.00 0.00 -1.35 0.00 0.00 41.12 41.31 3kwc n ASP 55 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 3kwc n GLU 56 N -1.52 0.00 -2.04 0.11 2.13 -1.26 -4.86 120.64 113.19 3kwc n GLU 56 Ca -0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 3kwc n GLU 56 Cb 0.17 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.86 3kwc n GLU 56 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3kwc s GLY 57 N -0.70 2.89 -0.15 8.31 0.00 -0.35 -4.52 107.32 112.79 3kwc s GLY 57 Ca 0.00 1.33 -0.30 0.00 0.00 0.00 0.00 44.72 45.76 3kwc s GLY 57 CO 0.00 2.03 0.92 -1.08 0.00 0.00 0.00 173.10 174.97 3kwc s THR 58 N -0.96 0.00 0.76 0.90 -1.32 -1.26 -4.62 115.64 109.14 3kwc s THR 58 Ca 0.51 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.91 3kwc s THR 58 Cb -0.41 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 69.67 3kwc s THR 58 CO 0.53 0.00 1.08 -2.16 -2.21 0.00 0.00 174.62 171.87 3kwc s PRO 59 N -0.92 1.86 0.05 7.08 0.04 -1.26 -4.33 135.00 137.52 3kwc s PRO 59 Ca -0.03 -0.31 0.06 0.00 0.04 0.00 0.00 61.00 60.75 3kwc s PRO 59 Cb -0.01 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3kwc s PRO 59 CO 0.03 -1.50 -0.12 -0.06 0.04 0.00 0.00 177.00 175.39 3kwc s PHE 60 N -3.39 2.71 -0.09 0.56 0.08 -0.69 -1.02 117.98 116.16 3kwc s PHE 60 Ca 0.63 -0.16 0.03 0.00 0.12 0.00 0.00 56.93 57.55 3kwc s PHE 60 Cb -0.09 -1.49 0.01 0.00 -0.57 0.00 0.00 43.02 40.87 3kwc s PHE 60 CO 0.47 0.35 -0.18 -1.58 -0.10 0.00 0.00 175.22 174.18 3kwc s HIS 61 N -1.05 1.99 -0.23 0.36 5.65 0.13 -1.44 115.29 120.70 3kwc s HIS 61 Ca 0.18 -0.81 0.01 0.00 0.25 0.00 0.00 55.06 54.69 3kwc s HIS 61 Cb -0.11 -1.38 0.06 0.00 -1.18 0.00 0.00 32.58 29.96 3kwc s HIS 61 CO 0.09 -0.36 -0.07 0.42 -0.65 0.00 0.00 174.74 174.17 3kwc s ILE 62 N 0.57 1.60 0.96 0.89 1.01 -0.28 -0.62 121.20 125.34 3kwc s ILE 62 Ca -0.15 -1.23 -0.13 0.00 0.00 0.00 0.00 60.65 59.13 3kwc s ILE 62 Cb -0.17 -1.83 0.17 0.00 0.01 0.00 0.00 42.46 40.64 3kwc s ILE 62 CO 0.05 -0.06 1.14 -0.83 0.00 0.00 0.00 174.94 175.24 3kwc s GLY 63 N 1.37 1.59 0.35 6.18 0.00 -0.57 -1.53 107.32 114.71 3kwc s GLY 63 Ca -0.06 -0.60 -0.28 0.00 0.00 0.00 0.00 44.72 43.79 3kwc s GLY 63 CO -0.06 0.03 1.23 -1.35 0.00 0.00 0.00 173.10 172.94 3kwc s SER 64 N -3.97 6.75 -1.11 1.64 1.04 -1.26 -3.01 113.70 113.77 3kwc s SER 64 Ca 0.66 2.51 0.00 0.00 0.48 0.00 0.00 55.95 59.59 3kwc s SER 64 Cb -0.14 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.34 3kwc s SER 64 CO 0.54 -0.53 0.00 0.54 0.98 0.00 0.00 173.24 174.77 3kwc n ARG 65 N 0.59 -1.02 -3.38 4.02 1.74 -0.42 -1.68 116.66 116.51 3kwc n ARG 65 Ca 0.01 0.83 -0.36 0.00 -0.77 0.00 0.00 57.85 57.57 3kwc n ARG 65 Cb 0.44 -4.88 -0.06 0.00 -1.02 0.00 0.00 32.46 26.94 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 -2.24 4.88 0.02 0.55 2.01 -1.16 -4.23 115.64 115.47 3kwc s THR 66 Ca 0.00 0.82 0.06 0.00 0.31 0.00 0.00 61.69 62.88 3kwc s THR 66 Cb 0.00 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 3kwc s THR 66 CO 0.00 0.29 -0.17 0.54 -0.69 0.00 0.00 174.62 174.60 3kwc s ASN 67 N -1.64 3.89 -0.27 3.53 2.20 -0.35 -2.28 114.94 120.02 3kwc s ASN 67 Ca 0.36 -0.37 0.03 0.00 -0.94 0.00 0.00 52.86 51.94 3kwc s ASN 67 Cb -0.15 -0.68 0.07 0.00 -2.00 0.00 0.00 41.25 38.49 3kwc s ASN 67 CO 0.19 0.27 -0.07 -0.63 -2.94 0.00 0.00 177.10 173.92 3kwc s ILE 68 N -0.90 2.11 0.41 0.54 -1.09 0.13 -1.48 121.20 120.93 3kwc s ILE 68 Ca 0.14 -1.73 -0.02 0.00 -2.23 0.00 0.00 60.65 56.82 3kwc s ILE 68 Cb -0.11 -2.30 0.09 0.00 -1.58 0.00 0.00 42.46 38.56 3kwc s ILE 68 CO 0.05 -0.15 0.57 0.00 -1.23 0.00 0.00 174.94 174.17 3kwc n GLN 69 N 4.43 0.01 -1.90 2.79 6.02 -0.32 -0.83 117.38 127.58 3kwc n GLN 69 Ca -0.10 -1.34 -0.41 0.00 -0.01 0.00 0.00 57.00 55.14 3kwc n GLN 69 Cb 0.42 -0.44 -0.02 0.00 1.02 0.00 0.00 30.24 31.22 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 -3.23 6.51 -0.55 1.08 1.11 -1.26 -2.91 116.67 117.41 3kwc s ASP 70 Ca 0.36 2.82 0.00 0.00 0.18 0.00 0.00 52.55 55.90 3kwc s ASP 70 Cb -0.02 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.34 3kwc s ASP 70 CO 0.24 -0.80 0.00 0.61 1.18 0.00 0.00 175.17 176.40 3kwc n GLY 71 N 2.06 0.73 3.77 0.21 0.00 -0.92 -0.96 105.19 110.07 3kwc n GLY 71 Ca 0.07 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.98 2.93 -0.08 1.61 1.01 -1.15 -4.31 120.40 118.44 3kwc s VAL 72 Ca 0.00 0.75 0.04 0.00 0.00 0.00 0.00 61.98 62.77 3kwc s VAL 72 Cb 0.00 -3.41 -0.00 0.00 0.00 0.00 0.00 36.38 32.97 3kwc s VAL 72 CO 0.00 0.04 -0.22 -0.69 0.00 0.00 0.00 175.10 174.23 3kwc s VAL 73 N -1.42 1.91 -0.11 2.92 1.01 -1.06 -1.33 120.40 122.32 3kwc s VAL 73 Ca 0.61 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3kwc s VAL 73 Cb -0.32 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.43 3kwc s VAL 73 CO 0.40 0.53 -0.13 -0.63 0.00 0.00 0.00 175.10 175.27 3kwc s ILE 74 N 0.26 1.37 0.33 2.22 1.01 -0.43 -1.68 121.20 124.28 3kwc s ILE 74 Ca -0.15 -0.56 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 3kwc s ILE 74 Cb -0.16 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 41.03 3kwc s ILE 74 CO 0.07 0.42 0.48 -2.28 0.00 0.00 0.00 174.94 173.62 3kwc s HIS 75 N 1.13 0.99 -0.01 3.97 2.46 -1.00 -1.49 115.29 121.35 3kwc s HIS 75 Ca -0.04 -1.24 -0.29 0.00 0.47 0.00 0.00 55.06 53.95 3kwc s HIS 75 Cb -0.14 -0.05 0.07 0.00 -0.13 0.00 0.00 32.58 32.33 3kwc s HIS 75 CO -0.03 -1.13 0.66 0.20 -2.47 0.00 0.00 174.74 171.97 3kwc s GLY 76 N -3.22 -0.58 0.42 1.59 0.00 -1.26 -0.09 107.32 104.17 3kwc s GLY 76 Ca 0.30 1.15 -0.25 0.00 0.00 0.00 0.00 44.72 45.92 3kwc s GLY 76 CO 0.19 0.80 1.20 1.08 0.00 0.00 0.00 173.10 176.37 3kwc s LEU 77 N -1.49 4.14 0.18 0.66 1.43 -0.91 -1.21 118.68 121.48 3kwc s LEU 77 Ca -0.09 2.41 -0.14 0.00 -1.03 0.00 0.00 54.13 55.28 3kwc s LEU 77 Cb -0.00 -4.06 0.15 0.00 0.03 0.00 0.00 46.19 42.31 3kwc s LEU 77 CO 0.06 -0.79 1.71 -0.61 0.23 0.00 0.00 176.35 176.94 3kwc h GLN 78 N 2.47 0.16 -5.90 1.70 -0.00 -1.93 -3.17 115.11 108.45 3kwc h GLN 78 Ca -0.49 -0.01 -0.63 0.00 -0.00 0.00 0.00 58.65 57.52 3kwc h GLN 78 Cb 1.24 -0.04 -0.06 0.00 0.00 0.00 0.00 27.48 28.63 3kwc h GLN 78 CO 0.62 0.11 -0.32 -0.65 0.00 0.00 0.00 178.83 178.59 3kwc s GLN 79 N -6.16 3.71 0.00 1.69 -1.52 -1.26 -4.54 119.66 111.58 3kwc s GLN 79 Ca -0.13 0.16 0.00 0.00 -1.95 0.00 0.00 55.36 53.43 3kwc s GLN 79 Cb 0.15 -3.17 0.00 0.00 -0.22 0.00 0.00 33.01 29.77 3kwc s GLN 79 CO 0.72 0.70 0.00 0.41 -0.25 0.00 0.00 175.29 176.87 3kwc n GLY 80 N 1.67 2.56 3.18 3.09 0.00 -1.26 -4.77 105.19 109.66 3kwc n GLY 80 Ca -0.15 -1.18 -0.14 0.00 0.00 0.00 0.00 46.02 44.55 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 -4.39 0.85 0.24 1.61 1.81 -1.26 -4.40 118.95 113.41 3kwc s ARG 81 Ca 0.00 -1.17 0.10 0.00 -1.72 0.00 0.00 55.73 52.93 3kwc s ARG 81 Cb 0.00 -0.51 -0.04 0.00 -0.45 0.00 0.00 34.95 33.94 3kwc s ARG 81 CO 0.00 0.07 -0.05 0.14 -0.68 0.00 0.00 175.30 174.78 3kwc s VAL 82 N -2.53 3.28 -0.22 3.52 -7.23 0.81 -4.93 120.40 113.09 3kwc s VAL 82 Ca 0.06 -1.88 -0.14 0.00 -1.81 0.00 0.00 61.98 58.20 3kwc s VAL 82 Cb -0.02 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 3kwc s VAL 82 CO -0.00 -0.30 0.33 -0.63 -0.31 0.00 0.00 175.10 174.19 3kwc s ILE 83 N -2.16 5.24 0.90 -0.62 -1.09 -1.26 -1.00 121.20 121.20 3kwc s ILE 83 Ca 0.29 0.54 -0.12 0.00 -2.23 0.00 0.00 60.65 59.13 3kwc s ILE 83 Cb -0.07 -3.66 0.13 0.00 -1.58 0.00 0.00 42.46 37.28 3kwc s ILE 83 CO 0.18 0.26 1.15 -0.83 -1.23 0.00 0.00 174.94 174.47 3kwc s GLY 84 N 1.16 1.58 0.54 6.18 0.00 0.06 -4.94 107.32 111.91 3kwc s GLY 84 Ca 0.15 -0.58 0.32 0.00 0.00 0.00 0.00 44.72 44.61 3kwc s GLY 84 CO 0.07 -0.02 2.06 -0.55 0.00 0.00 0.00 173.10 174.67 3kwc h ASP 85 N -1.44 0.00 0.12 1.64 3.45 -1.98 -1.86 116.42 116.35 3kwc h ASP 85 Ca -0.49 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.97 3kwc h ASP 85 Cb 1.33 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.10 3kwc h ASP 85 CO 0.62 0.08 -0.00 -0.90 -1.57 0.00 0.00 179.24 177.46 3kwc n ASP 86 N -3.33 0.03 0.00 6.45 5.68 -1.26 -4.93 116.55 119.19 3kwc n ASP 86 Ca -0.01 -0.83 0.00 0.00 -0.50 0.00 0.00 54.79 53.45 3kwc n ASP 86 Cb 0.26 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 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 1.06 0.92 3.95 6.12 0.00 -0.70 -5.06 105.19 111.48 3kwc n GLY 87 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.52 3.46 0.17 1.61 -1.52 -1.26 -4.79 119.66 116.80 3kwc s GLN 88 Ca 0.00 -0.39 -0.27 0.00 -1.95 0.00 0.00 55.36 52.75 3kwc s GLN 88 Cb 0.00 -2.68 -0.08 0.00 -0.22 0.00 0.00 33.01 30.03 3kwc s GLN 88 CO 0.00 0.16 0.85 -1.21 -0.25 0.00 0.00 175.29 174.84 3kwc s GLU 89 N -4.30 4.67 0.02 2.91 2.02 -1.26 -0.76 118.70 122.00 3kwc s GLU 89 Ca 0.40 1.29 0.00 0.00 0.02 0.00 0.00 54.97 56.69 3kwc s GLU 89 Cb -0.10 -3.30 -0.01 0.00 0.10 0.00 0.00 34.13 30.82 3kwc s GLU 89 CO 0.35 0.47 -0.03 0.71 0.02 0.00 0.00 175.26 176.78 3kwc s TYR 90 N -0.85 0.26 0.02 1.61 1.51 -0.17 -4.50 117.35 115.23 3kwc s TYR 90 Ca 0.39 -0.36 -0.19 0.00 -1.01 0.00 0.00 57.07 55.90 3kwc s TYR 90 Cb -0.24 -0.18 -0.21 0.00 -0.11 0.00 0.00 41.96 41.23 3kwc s TYR 90 CO 0.28 -0.12 1.17 1.03 -1.11 0.00 0.00 175.55 176.80 3kwc h SER 91 N 5.10 0.55 -3.19 2.29 0.87 -1.27 0.23 113.55 118.13 3kwc h SER 91 Ca -0.30 -0.69 -0.51 0.00 -1.23 0.00 0.00 61.79 59.05 3kwc h SER 91 Cb 1.21 -0.16 -0.37 0.00 -0.44 0.00 0.00 62.40 62.63 3kwc h SER 91 CO 0.44 1.16 -0.80 -0.69 -0.53 0.00 0.00 176.83 176.41 3kwc s VAL 92 N -3.47 0.94 -0.26 2.23 1.01 -1.18 -1.58 120.40 118.10 3kwc s VAL 92 Ca -0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 3kwc s VAL 92 Cb 0.04 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.48 3kwc s VAL 92 CO 0.82 0.35 -0.05 0.86 0.00 0.00 0.00 175.10 177.08 3kwc s TRP 93 N 1.74 3.10 -0.16 5.22 -0.11 -0.33 -0.69 118.94 127.71 3kwc s TRP 93 Ca 0.05 -1.63 -0.01 0.00 1.22 0.00 0.00 56.10 55.73 3kwc s TRP 93 Cb -0.13 -2.06 -0.01 0.00 -1.50 0.00 0.00 33.47 29.77 3kwc s TRP 93 CO -0.08 -0.75 -0.11 0.42 -4.62 0.00 0.00 176.95 171.82 3kwc s ILE 94 N 1.31 3.10 0.00 5.86 1.01 0.21 -0.94 121.20 131.75 3kwc s ILE 94 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.02 3kwc s ILE 94 Cb -0.17 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 39.96 3kwc s ILE 94 CO -0.04 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.00 3kwc n GLY 95 N 4.00 -0.85 3.78 6.18 0.00 -0.57 -1.51 105.19 116.22 3kwc n GLY 95 Ca -0.18 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.00 6.77 -1.14 1.61 -0.00 -1.26 -3.56 116.67 118.09 3kwc s ASP 96 Ca 0.00 2.03 -0.07 0.00 -0.00 0.00 0.00 52.55 54.51 3kwc s ASP 96 Cb 0.00 -2.58 0.01 0.00 -0.00 0.00 0.00 42.92 40.34 3kwc s ASP 96 CO 0.00 -0.48 0.96 0.59 -0.00 0.00 0.00 175.17 176.23 3kwc n ASN 97 N -0.06 -5.64 -4.63 0.27 3.02 -0.68 -1.10 115.26 106.44 3kwc n ASN 97 Ca 0.05 -0.43 -0.33 0.00 -0.03 0.00 0.00 54.58 53.83 3kwc n ASN 97 Cb 0.50 -4.26 -0.10 0.00 -0.61 0.00 0.00 39.78 35.31 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 -3.25 3.92 -0.29 2.41 1.01 -1.26 -3.30 120.40 119.63 3kwc s VAL 98 Ca 0.47 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 3kwc s VAL 98 Cb -0.21 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.51 3kwc s VAL 98 CO 0.59 0.48 0.05 -0.44 0.00 0.00 0.00 175.10 175.78 3kwc s SER 99 N -1.19 4.98 -0.67 3.32 0.01 -0.92 -1.21 113.70 118.01 3kwc s SER 99 Ca 0.16 -0.87 -0.16 0.00 1.31 0.00 0.00 55.95 56.39 3kwc s SER 99 Cb -0.11 -1.82 0.16 0.00 0.21 0.00 0.00 66.02 64.46 3kwc s SER 99 CO 0.06 -0.21 0.65 -0.63 0.41 0.00 0.00 173.24 173.52 3kwc s ILE 100 N 1.43 5.29 0.96 1.44 -1.09 -0.55 -1.12 121.20 127.56 3kwc s ILE 100 Ca 0.01 -1.80 -0.15 0.00 -2.23 0.00 0.00 60.65 56.47 3kwc s ILE 100 Cb -0.18 -4.43 0.22 0.00 -1.58 0.00 0.00 42.46 36.49 3kwc s ILE 100 CO 0.01 -0.99 1.30 0.35 -1.23 0.00 0.00 174.94 174.38 3kwc n THR 101 N 4.82 0.00 -1.64 2.92 -2.24 -0.71 -1.17 114.28 116.26 3kwc n THR 101 Ca -0.01 -1.02 -0.56 0.00 -2.27 0.00 0.00 64.05 60.19 3kwc n THR 101 Cb 0.43 -1.46 -0.07 0.00 -2.10 0.00 0.00 70.33 67.13 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 -3.76 1.69 -1.01 4.78 8.25 -1.26 -1.88 115.22 122.03 3kwc n HIS 102 Ca 0.17 0.65 -0.00 0.00 -0.26 0.00 0.00 57.72 58.27 3kwc n HIS 102 Cb 0.58 -2.36 -0.00 0.00 1.12 0.00 0.00 29.99 29.32 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 3.72 -1.05 -1.60 -0.41 2.81 -0.14 -1.44 117.12 119.02 3kwc n MET 103 Ca 0.22 0.29 -0.36 0.00 -1.81 0.00 0.00 57.70 56.05 3kwc n MET 103 Cb 0.15 -4.09 0.08 0.00 -0.71 0.00 0.00 33.22 28.64 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 -1.51 2.24 -0.16 3.04 0.00 -0.78 -4.23 121.76 120.36 3kwc s ALA 104 Ca 0.00 1.05 0.01 0.00 0.00 0.00 0.00 51.96 53.01 3kwc s ALA 104 Cb 0.00 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.63 3kwc s ALA 104 CO 0.00 -1.73 -0.17 -1.17 0.00 0.00 0.00 175.76 172.69 3kwc s LEU 105 N -4.75 1.88 -0.24 0.00 2.96 -0.39 -2.58 118.68 115.56 3kwc s LEU 105 Ca 0.78 -0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 54.13 3kwc s LEU 105 Cb -0.33 -1.31 0.02 0.00 0.50 0.00 0.00 46.19 45.08 3kwc s LEU 105 CO 0.42 -0.03 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.71 3kwc s ILE 106 N 1.37 2.77 -0.14 6.68 -1.09 -0.68 -1.44 121.20 128.67 3kwc s ILE 106 Ca 0.04 -1.01 0.00 0.00 -2.23 0.00 0.00 60.65 57.45 3kwc s ILE 106 Cb -0.13 -2.38 0.03 0.00 -1.58 0.00 0.00 42.46 38.40 3kwc s ILE 106 CO -0.11 0.25 -0.11 -2.28 -1.23 0.00 0.00 174.94 171.46 3kwc s HIS 107 N 1.32 1.89 0.63 3.97 2.46 -0.20 -2.37 115.29 122.99 3kwc s HIS 107 Ca 0.01 -1.05 -0.18 0.00 0.47 0.00 0.00 55.06 54.30 3kwc s HIS 107 Cb -0.16 -1.44 -0.02 0.00 -0.13 0.00 0.00 32.58 30.83 3kwc s HIS 107 CO -0.05 -0.61 1.26 0.20 -2.47 0.00 0.00 174.74 173.06 3kwc s GLY 108 N 1.58 2.80 0.06 1.59 0.00 0.86 -3.03 107.32 111.18 3kwc s GLY 108 Ca 0.04 1.12 -0.31 0.00 0.00 0.00 0.00 44.72 45.58 3kwc s GLY 108 CO -0.09 1.54 1.34 2.56 0.00 0.00 0.00 173.10 178.44 3kwc s PRO 109 N -3.37 4.34 -0.14 2.90 0.04 -1.26 -2.13 135.00 135.38 3kwc s PRO 109 Ca 0.80 1.95 -0.09 0.00 0.04 0.00 0.00 61.00 63.70 3kwc s PRO 109 Cb -0.34 -3.39 0.05 0.00 0.04 0.00 0.00 34.50 30.85 3kwc s PRO 109 CO 0.37 -0.44 0.35 0.00 0.04 0.00 0.00 177.00 177.32 3kwc s ALA 110 N 1.57 -0.86 -0.14 8.56 0.00 -0.61 -1.70 121.76 128.58 3kwc s ALA 110 Ca 0.63 1.24 0.02 0.00 0.00 0.00 0.00 51.96 53.85 3kwc s ALA 110 Cb -0.33 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 22.05 3kwc s ALA 110 CO 0.28 -0.22 -0.20 -0.47 0.00 0.00 0.00 175.76 175.15 3kwc s TYR 111 N 1.08 2.55 -0.15 0.00 6.14 -0.96 -1.18 117.35 124.83 3kwc s TYR 111 Ca -0.07 -1.34 0.02 0.00 0.64 0.00 0.00 57.07 56.31 3kwc s TYR 111 Cb -0.08 -1.76 0.02 0.00 0.42 0.00 0.00 41.96 40.56 3kwc s TYR 111 CO -0.08 -0.64 -0.19 0.42 0.64 0.00 0.00 175.55 175.69 3kwc s ILE 112 N 1.00 1.92 0.72 3.14 1.01 -0.11 -0.34 121.20 128.54 3kwc s ILE 112 Ca -0.03 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.64 3kwc s ILE 112 Cb -0.15 -1.73 0.03 0.00 0.01 0.00 0.00 42.46 40.63 3kwc s ILE 112 CO -0.05 0.52 1.09 -0.83 0.00 0.00 0.00 174.94 175.67 3kwc s GLY 113 N 1.11 1.62 0.27 6.18 0.00 -0.53 -1.52 107.32 114.45 3kwc s GLY 113 Ca -0.01 -0.48 -0.29 0.00 0.00 0.00 0.00 44.72 43.93 3kwc s GLY 113 CO -0.07 -0.09 1.19 1.22 0.00 0.00 0.00 173.10 175.34 3kwc n ASP 114 N -3.03 1.96 0.00 1.64 10.43 -1.26 -2.92 116.55 123.37 3kwc n ASP 114 Ca 0.07 1.17 0.00 0.00 2.57 0.00 0.00 54.79 58.60 3kwc n ASP 114 Cb 0.58 -1.35 0.00 0.00 1.84 0.00 0.00 41.12 42.19 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 1.46 0.57 3.80 0.44 0.00 -0.26 -1.26 105.19 109.94 3kwc n GLY 115 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.36 2.70 -0.30 0.00 5.36 -0.62 -2.16 117.98 120.59 3kwc s PHE 117 Ca 0.65 -1.51 -0.03 0.00 -0.96 0.00 0.00 56.93 55.07 3kwc s PHE 117 Cb -0.17 -1.86 0.04 0.00 -0.34 0.00 0.00 43.02 40.70 3kwc s PHE 117 CO 0.35 -0.73 0.01 0.42 -1.46 0.00 0.00 175.22 173.81 3kwc s ILE 118 N 1.13 3.17 0.84 3.12 -1.09 -0.27 -0.66 121.20 127.44 3kwc s ILE 118 Ca 0.01 -1.22 -0.14 0.00 -2.23 0.00 0.00 60.65 57.06 3kwc s ILE 118 Cb -0.14 -2.76 0.20 0.00 -1.58 0.00 0.00 42.46 38.18 3kwc s ILE 118 CO -0.09 -0.05 1.02 0.61 -1.23 0.00 0.00 174.94 175.20 3kwc n GLY 119 N 4.68 -1.79 3.69 6.18 0.00 0.07 -1.73 105.19 116.29 3kwc n GLY 119 Ca -0.14 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.81 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 -3.73 2.60 -1.96 1.61 0.99 -1.26 -2.26 117.46 113.44 3kwc n PHE 120 Ca 0.13 -0.07 -0.14 0.00 -0.00 0.00 0.00 57.45 57.37 3kwc n PHE 120 Cb 0.47 -2.70 -0.03 0.00 -1.00 0.00 0.00 39.48 36.22 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 5.20 -1.05 -3.82 -1.08 0.63 -0.52 -0.31 116.66 115.71 3kwc n ARG 121 Ca 0.18 0.78 -0.30 0.00 -0.92 0.00 0.00 57.85 57.59 3kwc n ARG 121 Cb 0.36 -4.98 -0.04 0.00 0.45 0.00 0.00 32.46 28.24 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 -2.55 6.40 -0.08 6.15 0.01 -0.96 -4.30 113.70 118.37 3kwc s SER 122 Ca 0.00 0.37 0.05 0.00 1.31 0.00 0.00 55.95 57.67 3kwc s SER 122 Cb 0.00 -2.00 -0.00 0.00 0.21 0.00 0.00 66.02 64.23 3kwc s SER 122 CO 0.00 0.09 -0.23 -0.89 0.41 0.00 0.00 173.24 172.62 3kwc s THR 123 N -1.64 1.92 -0.18 1.44 2.01 0.24 -1.27 115.64 118.16 3kwc s THR 123 Ca 0.37 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.42 3kwc s THR 123 Cb -0.12 -1.65 0.02 0.00 0.01 0.00 0.00 72.50 70.76 3kwc s THR 123 CO 0.27 0.53 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.86 3kwc s VAL 124 N 0.18 1.98 -0.04 3.82 1.01 -0.52 -0.68 120.40 126.14 3kwc s VAL 124 Ca -0.12 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 60.89 3kwc s VAL 124 Cb -0.16 -1.83 0.03 0.00 0.00 0.00 0.00 36.38 34.43 3kwc s VAL 124 CO 0.06 0.47 0.09 0.12 0.00 0.00 0.00 175.10 175.85 3kwc s PHE 125 N 1.31 -0.07 -1.25 5.22 5.36 -0.31 -1.03 117.98 127.20 3kwc s PHE 125 Ca 0.04 0.32 -0.11 0.00 -0.96 0.00 0.00 56.93 56.21 3kwc s PHE 125 Cb -0.14 -0.17 -0.00 0.00 -0.34 0.00 0.00 43.02 42.37 3kwc s PHE 125 CO -0.12 -0.14 0.65 -1.71 -1.46 0.00 0.00 175.22 172.44 3kwc n ASN 126 N 4.26 -3.03 -3.58 6.13 5.15 -0.69 -2.61 115.26 120.90 3kwc n ASN 126 Ca -0.26 -1.00 -0.15 0.00 -0.60 0.00 0.00 54.58 52.57 3kwc n ASN 126 Cb 0.51 -3.31 -0.06 0.00 -0.53 0.00 0.00 39.78 36.38 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 -3.67 -1.42 -0.19 5.20 0.00 -0.91 -1.41 121.76 119.36 3kwc s ALA 127 Ca 0.25 0.83 -0.06 0.00 0.00 0.00 0.00 51.96 52.99 3kwc s ALA 127 Cb -0.09 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 3kwc s ALA 127 CO 0.87 -0.42 0.01 0.50 0.00 0.00 0.00 175.76 176.72 3kwc s ARG 128 N -1.82 3.71 -0.25 0.00 3.52 -0.93 -2.27 118.95 120.92 3kwc s ARG 128 Ca -0.09 -0.48 -0.04 0.00 -0.13 0.00 0.00 55.73 54.99 3kwc s ARG 128 Cb -0.01 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.27 3kwc s ARG 128 CO 0.03 0.09 -0.01 0.08 -0.81 0.00 0.00 175.30 174.69 3kwc s VAL 129 N 0.82 3.51 0.79 7.11 1.01 0.54 -0.58 120.40 133.60 3kwc s VAL 129 Ca 0.01 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 3kwc s VAL 129 Cb -0.14 -2.69 0.07 0.00 0.00 0.00 0.00 36.38 33.62 3kwc s VAL 129 CO 0.02 0.29 1.09 -0.83 0.00 0.00 0.00 175.10 175.67 3kwc s GLY 130 N 1.47 1.65 0.27 4.51 0.00 -0.82 -1.45 107.32 112.95 3kwc s GLY 130 Ca 0.04 0.10 -0.30 0.00 0.00 0.00 0.00 44.72 44.56 3kwc s GLY 130 CO -0.02 0.48 1.25 0.00 0.00 0.00 0.00 173.10 174.82 3kwc n ALA 131 N -3.54 0.64 -1.13 3.20 0.00 -1.26 -3.29 120.51 115.13 3kwc n ALA 131 Ca 0.08 0.40 -0.05 0.00 0.00 0.00 0.00 53.44 53.87 3kwc n ALA 131 Cb 0.54 -2.18 -0.02 0.00 0.00 0.00 0.00 19.45 17.79 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 1.52 0.73 3.82 0.00 0.00 -0.39 -1.04 105.19 109.82 3kwc n GLY 132 Ca 0.09 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.14 1.96 -0.24 0.00 1.01 -0.64 -1.59 120.40 118.75 3kwc s VAL 134 Ca 0.63 -1.90 -0.10 0.00 0.00 0.00 0.00 61.98 60.61 3kwc s VAL 134 Cb -0.10 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 3kwc s VAL 134 CO 0.14 -0.41 0.15 -0.69 0.00 0.00 0.00 175.10 174.30 3kwc s VAL 135 N 1.11 5.24 0.00 2.92 1.01 0.17 -2.23 120.40 128.62 3kwc s VAL 135 Ca 0.04 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.16 3kwc s VAL 135 Cb -0.19 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3kwc s VAL 135 CO -0.09 0.33 0.00 0.23 0.00 0.00 0.00 175.10 175.57 3kwc n MET 136 N 4.43 3.48 -3.85 2.72 2.81 -0.90 -0.75 117.12 125.06 3kwc n MET 136 Ca -0.15 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.41 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 1.85 3.49 -1.39 0.03 1.00 -1.26 -3.55 119.30 119.47 3kwc s MET 137 Ca 0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 55.69 55.33 3kwc s MET 137 Cb 0.00 -3.04 0.03 0.00 0.00 0.00 0.00 34.83 31.83 3kwc s MET 137 CO 0.00 0.62 1.00 0.72 0.00 0.00 0.00 175.02 177.36 3kwc n HIS 138 N 0.65 -2.41 -4.07 -0.03 8.25 0.58 -0.83 115.22 117.35 3kwc n HIS 138 Ca -0.08 0.94 -0.36 0.00 -0.26 0.00 0.00 57.72 57.96 3kwc n HIS 138 Cb 0.52 -4.54 -0.07 0.00 1.12 0.00 0.00 29.99 27.01 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 -3.38 5.02 -0.18 1.59 1.01 -1.26 -3.20 120.40 120.00 3kwc s VAL 139 Ca 0.43 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 3kwc s VAL 139 Cb -0.21 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 3kwc s VAL 139 CO 0.78 0.57 -0.06 -0.22 0.00 0.00 0.00 175.10 176.17 3kwc s LEU 140 N -1.10 2.95 -0.15 3.92 2.96 -0.68 -0.59 118.68 125.98 3kwc s LEU 140 Ca 0.16 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 3kwc s LEU 140 Cb -0.12 -1.72 0.02 0.00 0.50 0.00 0.00 46.19 44.87 3kwc s LEU 140 CO 0.05 0.08 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.36 3kwc s ILE 141 N 0.87 1.78 -0.14 6.68 1.01 0.14 -0.29 121.20 131.25 3kwc s ILE 141 Ca -0.02 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.75 3kwc s ILE 141 Cb -0.15 -1.63 0.04 0.00 0.01 0.00 0.00 42.46 40.74 3kwc s ILE 141 CO 0.01 0.49 0.35 -1.58 0.00 0.00 0.00 174.94 174.21 3kwc s GLN 142 N 1.27 0.38 -1.61 2.79 0.74 -0.79 -1.16 119.66 121.28 3kwc s GLN 142 Ca 0.02 0.55 0.00 0.00 0.05 0.00 0.00 55.36 55.98 3kwc s GLN 142 Cb -0.14 0.12 0.00 0.00 1.10 0.00 0.00 33.01 34.09 3kwc s GLN 142 CO -0.09 -0.08 0.00 -0.25 -0.55 0.00 0.00 175.29 174.32 3kwc n ASP 143 N 3.30 -5.38 -4.09 6.67 10.43 -0.50 -4.22 116.55 122.77 3kwc n ASP 143 Ca -0.16 0.00 -0.10 0.00 2.57 0.00 0.00 54.79 57.10 3kwc n ASP 143 Cb 0.57 -4.44 -0.09 0.00 1.84 0.00 0.00 41.12 39.00 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 -2.92 0.07 -0.23 2.53 -7.23 -1.23 -4.73 120.40 106.67 3kwc s VAL 144 Ca 0.00 -1.73 -0.03 0.00 -1.81 0.00 0.00 61.98 58.42 3kwc s VAL 144 Cb 0.00 -2.04 0.01 0.00 0.56 0.00 0.00 36.38 34.90 3kwc s VAL 144 CO 0.00 -0.33 -0.06 -0.70 -0.31 0.00 0.00 175.10 173.71 3kwc s GLU 145 N -4.03 3.13 -0.15 4.82 2.12 -1.26 -2.19 118.70 121.14 3kwc s GLU 145 Ca 0.24 -0.78 -0.23 0.00 0.36 0.00 0.00 54.97 54.55 3kwc s GLU 145 Cb 0.06 -2.98 -0.02 0.00 0.26 0.00 0.00 34.13 31.44 3kwc s GLU 145 CO 0.03 -0.29 0.72 0.42 -0.54 0.00 0.00 175.26 175.61 3kwc s ILE 146 N 1.41 4.98 0.91 -3.70 -1.09 0.25 -4.79 121.20 119.16 3kwc s ILE 146 Ca 0.04 1.42 -0.11 0.00 -2.23 0.00 0.00 60.65 59.77 3kwc s ILE 146 Cb -0.15 -4.04 0.14 0.00 -1.58 0.00 0.00 42.46 36.83 3kwc s ILE 146 CO -0.04 0.12 1.12 -2.84 -1.23 0.00 0.00 174.94 172.06 3kwc s PRO 147 N 1.71 1.08 0.55 2.79 0.02 -1.26 -1.95 135.00 137.95 3kwc s PRO 147 Ca 0.34 1.34 -0.21 0.00 0.02 0.00 0.00 61.00 62.49 3kwc s PRO 147 Cb -0.17 -1.75 -0.05 0.00 0.02 0.00 0.00 34.50 32.56 3kwc s PRO 147 CO 0.13 -2.52 1.30 -0.35 -0.33 0.00 0.00 177.00 175.23 3kwc n PRO 148 N -4.14 1.55 -2.41 5.54 -0.04 -1.26 -3.81 135.00 130.43 3kwc n PRO 148 Ca 0.10 0.57 -0.13 0.00 -0.04 0.00 0.00 63.50 64.00 3kwc n PRO 148 Cb 0.53 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 3kwc n PRO 148 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kwc n GLY 149 N 0.84 -0.12 3.79 0.55 0.00 -0.21 -4.93 105.19 105.12 3kwc n GLY 149 Ca 0.11 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.84 2.90 -0.12 1.61 -0.14 -1.25 -1.71 119.74 116.19 3kwc s LYS 150 Ca 0.06 -0.79 -0.01 0.00 -1.36 0.00 0.00 55.97 53.87 3kwc s LYS 150 Cb -0.03 -2.68 -0.02 0.00 -1.68 0.00 0.00 37.83 33.42 3kwc s LYS 150 CO 0.08 0.52 -0.08 -0.47 -0.76 0.00 0.00 175.35 174.63 3kwc s TYR 151 N -1.60 2.91 -0.20 3.18 5.04 -0.19 -1.62 117.35 124.86 3kwc s TYR 151 Ca 0.30 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.60 3kwc s TYR 151 Cb -0.11 -1.84 0.02 0.00 0.35 0.00 0.00 41.96 40.38 3kwc s TYR 151 CO 0.23 0.00 -0.16 0.08 -1.34 0.00 0.00 175.55 174.36 3kwc s VAL 152 N 0.02 2.30 0.73 3.14 1.01 -0.95 -4.01 120.40 122.65 3kwc s VAL 152 Ca -0.02 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 60.86 3kwc s VAL 152 Cb -0.14 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.22 3kwc s VAL 152 CO 0.03 0.42 1.09 -2.84 0.00 0.00 0.00 175.10 173.80 3kwc s PRO 153 N 1.29 2.53 0.37 2.72 0.02 -1.26 -2.12 135.00 138.56 3kwc s PRO 153 Ca 0.03 1.17 -0.27 0.00 0.02 0.00 0.00 61.00 61.95 3kwc s PRO 153 Cb -0.14 -1.93 -0.11 0.00 0.02 0.00 0.00 34.50 32.33 3kwc s PRO 153 CO -0.10 -1.43 1.22 0.43 -0.33 0.00 0.00 177.00 176.79 3kwc n SER 154 N -3.18 2.35 0.00 2.53 7.64 -1.26 -3.27 113.62 118.43 3kwc n SER 154 Ca 0.09 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.12 3kwc n SER 154 Cb 0.53 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 3kwc n SER 154 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kwc n GLY 155 N 0.88 0.92 3.75 0.23 0.00 -0.01 -4.93 105.19 106.03 3kwc n GLY 155 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.15 4.55 -0.47 1.61 1.00 -1.20 -4.88 119.30 119.75 3kwc s MET 156 Ca 0.00 1.87 -0.01 0.00 0.00 0.00 0.00 55.69 57.54 3kwc s MET 156 Cb 0.00 -3.20 0.12 0.00 0.00 0.00 0.00 34.83 31.75 3kwc s MET 156 CO 0.00 0.05 0.25 0.08 0.00 0.00 0.00 175.02 175.40 3kwc s VAL 157 N -0.67 3.20 -0.38 -6.03 1.01 -1.26 -1.69 120.40 114.57 3kwc s VAL 157 Ca 0.48 -2.47 -0.15 0.00 0.00 0.00 0.00 61.98 59.85 3kwc s VAL 157 Cb -0.33 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 32.88 3kwc s VAL 157 CO 0.40 -0.74 0.32 -0.63 0.00 0.00 0.00 175.10 174.45 3kwc s ILE 158 N 0.64 5.22 0.00 2.22 1.01 0.61 -4.88 121.20 126.01 3kwc s ILE 158 Ca 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.40 3kwc s ILE 158 Cb -0.22 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.37 3kwc s ILE 158 CO -0.04 -0.22 0.13 0.35 0.00 0.00 0.00 174.94 175.16 3kwc n THR 159 N 5.21 0.00 -4.22 2.92 -2.24 -1.26 -1.89 114.28 112.80 3kwc n THR 159 Ca -0.10 -0.27 -0.19 0.00 -2.27 0.00 0.00 64.05 61.22 3kwc n THR 159 Cb 0.48 1.22 -0.11 0.00 -2.10 0.00 0.00 70.33 69.82 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 1.30 0.29 4.28 -4.23 -1.26 -4.78 115.64 110.95 3kwc s THR 160 Ca 0.00 -1.58 0.05 0.00 -1.18 0.00 0.00 61.69 58.98 3kwc s THR 160 Cb 0.00 -1.40 0.05 0.00 1.34 0.00 0.00 72.50 72.49 3kwc s THR 160 CO 0.00 -0.33 1.70 -0.61 -0.54 0.00 0.00 174.62 174.85 3kwc h GLN 161 N 3.80 0.34 -0.65 3.99 5.75 -1.93 -2.97 115.11 123.44 3kwc h GLN 161 Ca -0.41 -0.15 0.14 0.00 -0.15 0.00 0.00 58.65 58.08 3kwc h GLN 161 Cb 1.19 -0.01 -0.12 0.00 1.07 0.00 0.00 27.48 29.62 3kwc h GLN 161 CO 0.46 0.65 -0.06 1.96 -2.65 0.00 0.00 178.83 179.20 3kwc h GLN 162 N 0.29 0.07 -0.59 1.69 7.50 -1.98 -0.02 115.11 122.07 3kwc h GLN 162 Ca 0.03 -0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.14 3kwc h GLN 162 Cb 0.76 -0.02 -0.03 0.00 0.05 0.00 0.00 27.48 28.25 3kwc h GLN 162 CO 0.06 0.04 0.21 1.96 -1.50 0.00 0.00 178.83 179.60 3kwc h GLN 163 N 0.07 0.89 0.00 1.46 4.20 -1.94 -3.16 115.11 116.64 3kwc h GLN 163 Ca 0.33 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 3kwc h GLN 163 Cb 0.54 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3kwc h GLN 163 CO -0.60 0.78 -0.31 0.00 -0.67 0.00 0.00 178.83 178.03 3kwc h ALA 164 N 1.07 1.28 0.00 3.87 0.00 -1.12 -2.37 119.26 121.99 3kwc h ALA 164 Ca 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kwc h ALA 164 Cb 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kwc h ALA 164 CO -0.01 0.38 0.00 -0.25 0.00 0.00 0.00 179.25 179.37 3kwc n ASP 165 N -3.87 0.00 -2.25 0.00 8.00 -0.14 -4.04 116.55 114.26 3kwc n ASP 165 Ca -0.02 -0.09 -0.19 0.00 0.71 0.00 0.00 54.79 55.21 3kwc n ASP 165 Cb 0.38 -0.30 0.02 0.00 -0.02 0.00 0.00 41.12 41.21 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 -1.30 3.16 -3.91 -1.24 5.12 -0.89 -5.06 116.66 112.55 3kwc n ARG 166 Ca 0.13 -4.05 -0.32 0.00 -1.93 0.00 0.00 57.85 51.67 3kwc n ARG 166 Cb 0.24 -2.12 -0.04 0.00 -1.16 0.00 0.00 32.46 29.37 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 -3.62 4.37 0.58 0.55 1.43 -1.26 -5.05 118.68 115.68 3kwc s LEU 167 Ca 0.45 0.32 -0.16 0.00 -1.03 0.00 0.00 54.13 53.71 3kwc s LEU 167 Cb 0.39 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 3kwc s LEU 167 CO -0.00 0.22 1.05 -2.16 0.23 0.00 0.00 176.35 175.69 3kwc s PRO 168 N -2.19 3.42 0.42 1.29 0.04 -1.26 -4.89 135.00 131.84 3kwc s PRO 168 Ca 0.31 1.17 -0.25 0.00 0.04 0.00 0.00 61.00 62.27 3kwc s PRO 168 Cb -0.13 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.28 3kwc s PRO 168 CO 0.23 -0.72 1.19 -0.80 0.04 0.00 0.00 177.00 176.94 3kwc s ASN 169 N -2.81 6.36 0.57 6.66 0.01 -1.26 -1.02 114.94 123.44 3kwc s ASN 169 Ca 0.63 2.38 -0.21 0.00 -0.71 0.00 0.00 52.86 54.95 3kwc s ASN 169 Cb -0.15 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.85 3kwc s ASN 169 CO 0.36 -0.79 1.29 1.33 -1.51 0.00 0.00 177.10 177.78 3kwc n VAL 170 N -0.12 3.97 -3.53 1.60 0.24 -0.69 -4.64 118.33 115.16 3kwc n VAL 170 Ca 0.05 -0.50 -0.26 0.00 -2.04 0.00 0.00 64.34 61.59 3kwc n VAL 170 Cb 0.47 -1.56 -0.02 0.00 -1.47 0.00 0.00 33.84 31.25 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 -2.92 3.52 0.30 7.34 0.41 -1.26 -5.00 118.70 121.09 3kwc s GLU 171 Ca 0.74 -0.30 0.05 0.00 -0.41 0.00 0.00 54.97 55.05 3kwc s GLU 171 Cb -0.42 -2.74 0.78 0.00 -1.78 0.00 0.00 34.13 29.97 3kwc s GLU 171 CO 0.48 0.28 1.68 1.49 -0.49 0.00 0.00 175.26 178.69 3kwc h GLU 172 N 1.44 0.34 -0.28 1.61 4.81 -2.00 -0.33 114.58 120.16 3kwc h GLU 172 Ca -0.49 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 3kwc h GLU 172 Cb 1.20 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 3kwc h GLU 172 CO 0.65 0.22 0.06 0.66 -0.73 0.00 0.00 179.01 179.87 3kwc h SER 173 N 0.35 0.36 -0.62 1.04 4.64 -1.99 -1.68 113.55 115.66 3kwc h SER 173 Ca 0.58 -0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.78 3kwc h SER 173 Cb 1.16 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 3kwc h SER 173 CO -0.57 0.38 0.07 0.44 -0.87 0.00 0.00 176.83 176.28 3kwc h ASP 174 N 0.40 1.01 -0.17 4.97 3.32 -1.45 -1.25 116.42 123.25 3kwc h ASP 174 Ca 0.10 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 3kwc h ASP 174 Cb 0.17 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3kwc h ASP 174 CO -0.00 1.03 0.07 0.40 -1.72 0.00 0.00 179.24 179.02 3kwc h ILE 175 N 0.95 1.14 -0.76 0.35 2.04 -1.14 -1.86 117.51 118.23 3kwc h ILE 175 Ca 0.18 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 3kwc h ILE 175 Cb 0.47 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 3kwc h ILE 175 CO 0.02 0.14 0.44 0.45 0.00 0.00 0.00 178.15 179.19 3kwc h HIS 176 N 0.13 1.03 -0.51 1.37 3.86 -1.30 -2.43 115.15 117.29 3kwc h HIS 176 Ca 0.06 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 3kwc h HIS 176 Cb 0.15 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 3kwc h HIS 176 CO -0.02 0.71 0.33 0.35 0.86 0.00 0.00 177.93 180.17 3kwc h PHE 177 N 1.05 0.63 -0.20 2.45 3.57 -1.03 -2.38 116.94 121.04 3kwc h PHE 177 Ca 0.27 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 3kwc h PHE 177 Cb 0.00 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 3kwc h PHE 177 CO -0.00 0.40 0.09 0.00 -2.23 0.00 0.00 178.31 176.56 3kwc h ALA 178 N 1.19 0.25 0.00 2.41 0.00 -1.20 -2.95 119.26 118.96 3kwc h ALA 178 Ca 0.19 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3kwc h ALA 178 Cb -0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3kwc h ALA 178 CO -0.04 -0.17 -0.26 0.37 0.00 0.00 0.00 179.25 179.14 3kwc h GLN 179 N 0.18 0.00 -0.56 0.00 5.75 -1.35 -2.65 115.11 116.48 3kwc h GLN 179 Ca 0.07 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.52 3kwc h GLN 179 Cb 0.14 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 3kwc h GLN 179 CO -0.01 0.26 0.15 1.25 -2.65 0.00 0.00 178.83 177.84 3kwc h HIS 180 N 0.00 0.92 -0.73 3.99 2.76 -1.28 -0.96 115.15 119.86 3kwc h HIS 180 Ca -0.00 -0.10 -0.06 0.00 -2.20 0.00 0.00 60.37 58.01 3kwc h HIS 180 Cb 0.51 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.18 3kwc h HIS 180 CO 0.00 0.79 0.23 0.28 -1.30 0.00 0.00 177.93 177.93 3kwc h VAL 181 N 0.79 1.26 0.06 5.26 2.07 -1.32 0.37 116.25 124.74 3kwc h VAL 181 Ca 0.18 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 3kwc h VAL 181 Cb 0.32 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3kwc h VAL 181 CO -0.00 0.35 -0.03 0.58 0.02 0.00 0.00 177.57 178.49 3kwc h VAL 182 N 1.08 0.94 -0.45 2.57 2.07 -1.42 -2.26 116.25 118.77 3kwc h VAL 182 Ca 0.24 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.78 3kwc h VAL 182 Cb 0.29 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3kwc h VAL 182 CO -0.01 0.00 0.26 1.23 0.02 0.00 0.00 177.57 179.07 3kwc h GLY 183 N -0.08 0.63 0.57 2.17 0.00 -0.82 -2.07 103.07 103.47 3kwc h GLY 183 Ca -0.01 -0.19 0.07 0.00 0.00 0.00 0.00 47.33 47.20 3kwc h GLY 183 CO 0.01 0.16 0.23 -2.22 0.00 0.00 0.00 176.54 174.72 3kwc h ILE 184 N 0.51 0.87 -0.12 2.60 1.08 -0.88 -2.41 117.51 119.16 3kwc h ILE 184 Ca 0.18 -0.15 -0.12 0.00 -0.39 0.00 0.00 64.86 64.38 3kwc h ILE 184 Cb 0.03 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.16 3kwc h ILE 184 CO -0.10 0.08 -0.45 0.78 -0.69 0.00 0.00 178.15 177.78 3kwc h ASN 185 N 0.45 0.32 -0.75 1.72 2.35 -1.19 -0.96 115.58 117.51 3kwc h ASN 185 Ca 0.26 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 3kwc h ASN 185 Cb 0.24 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 3kwc h ASN 185 CO -0.22 0.73 0.39 -0.33 -1.65 0.00 0.00 177.43 176.34 3kwc h GLU 186 N 0.24 1.07 -0.35 0.81 5.08 -1.19 -0.54 114.58 119.71 3kwc h GLU 186 Ca 0.02 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.08 3kwc h GLU 186 Cb 0.89 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 3kwc h GLU 186 CO 0.07 0.81 -0.42 0.00 -1.00 0.00 0.00 179.01 178.47 3kwc h ALA 187 N 1.36 0.52 -0.37 3.43 0.00 -1.05 -2.50 119.26 120.65 3kwc h ALA 187 Ca 0.27 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3kwc h ALA 187 Cb 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3kwc h ALA 187 CO -0.04 0.66 0.20 -0.07 0.00 0.00 0.00 179.25 180.00 3kwc h LEU 188 N 0.71 0.32 -0.69 0.00 3.38 -1.00 -2.06 115.31 115.97 3kwc h LEU 188 Ca 0.05 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3kwc h LEU 188 Cb 1.02 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 3kwc h LEU 188 CO 0.10 0.23 0.30 0.17 0.09 0.00 0.00 178.44 179.33 3kwc h LEU 189 N 0.41 0.94 -1.32 1.67 8.10 -1.06 -1.42 115.31 122.63 3kwc h LEU 189 Ca 0.15 -0.16 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 3kwc h LEU 189 Cb 0.03 -0.24 -0.03 0.00 -0.44 0.00 0.00 40.66 39.99 3kwc h LEU 189 CO -0.09 0.83 0.27 -1.28 -4.11 0.00 0.00 178.44 174.06 3kwc h SER 190 N 0.98 0.66 -0.34 0.17 0.87 -1.32 -1.85 113.55 112.71 3kwc h SER 190 Ca 0.23 -0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.62 3kwc h SER 190 Cb 0.17 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3kwc h SER 190 CO -0.02 0.55 -0.25 1.23 -0.53 0.00 0.00 176.83 177.81 3kwc h GLY 191 N 0.83 0.84 1.41 5.77 0.00 -0.88 -1.10 103.07 109.94 3kwc h GLY 191 Ca 0.19 -0.81 -0.08 0.00 0.00 0.00 0.00 47.33 46.62 3kwc h GLY 191 CO -0.03 0.74 -0.09 -0.97 0.00 0.00 0.00 176.54 176.19 3kwc h TYR 192 N 0.55 0.77 -0.32 5.60 0.05 -1.07 -2.29 116.97 120.26 3kwc h TYR 192 Ca 0.07 -0.13 -0.12 0.00 0.05 0.00 0.00 58.73 58.60 3kwc h TYR 192 Cb 0.82 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.34 3kwc h TYR 192 CO 0.06 0.77 -0.30 1.96 -1.05 0.00 0.00 178.16 179.61 3kwc h GLN 193 N 0.65 0.68 -0.81 4.88 4.20 -1.30 -3.10 115.11 120.32 3kwc h GLN 193 Ca 0.12 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 3kwc h GLN 193 Cb 0.54 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.27 3kwc h GLN 193 CO 0.03 0.90 0.33 0.00 -0.67 0.00 0.00 178.83 179.42 3kwc h ALA 195 N 1.18 1.41 -0.54 0.00 0.00 -1.35 -0.98 119.26 118.99 3kwc h ALA 195 Ca 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kwc h ALA 195 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kwc h ALA 195 CO -0.02 0.21 0.00 0.39 0.00 0.00 0.00 179.25 179.83 3kwc n GLU 196 N -3.89 2.39 -3.96 0.00 1.02 -1.02 -4.81 120.64 110.38 3kwc n GLU 196 Ca -0.02 -2.15 -0.34 0.00 -0.02 0.00 0.00 57.16 54.62 3kwc n GLU 196 Cb 0.26 -1.48 -0.14 0.00 -0.02 0.00 0.00 31.44 30.06 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 -1.15 4.47 0.17 1.62 3.84 -0.37 -5.04 114.94 118.48 3kwc s ASN 197 Ca 0.40 -1.02 -0.18 0.00 0.21 0.00 0.00 52.86 52.27 3kwc s ASN 197 Cb 0.21 -1.67 0.10 0.00 -0.55 0.00 0.00 41.25 39.35 3kwc s ASN 197 CO 0.29 -0.17 1.65 0.40 -2.79 0.00 0.00 177.10 176.48 3kwc h ILE 198 N 6.27 0.51 -0.56 -5.21 1.08 -1.87 -1.15 117.51 116.58 3kwc h ILE 198 Ca -0.29 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.20 3kwc h ILE 198 Cb 1.09 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 35.32 3kwc h ILE 198 CO 0.56 0.00 0.37 0.00 -0.69 0.00 0.00 178.15 178.38 3kwc h ALA 199 N 1.27 1.65 0.05 1.87 0.00 -1.96 -2.39 119.26 119.76 3kwc h ALA 199 Ca 0.19 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 3kwc h ALA 199 Cb 0.36 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.96 3kwc h ALA 199 CO -0.44 0.31 -0.53 0.00 0.00 0.00 0.00 179.25 178.58 3kwc h ILE 201 N -0.40 0.64 0.33 0.00 6.09 -1.17 -3.39 117.51 119.61 3kwc h ILE 201 Ca -0.08 -2.05 0.00 0.00 -1.37 0.00 0.00 64.86 61.36 3kwc h ILE 201 Cb 1.33 2.17 -0.03 0.00 0.47 0.00 0.00 36.82 40.77 3kwc h ILE 201 CO 0.10 0.36 -0.40 0.00 -3.07 0.00 0.00 178.15 175.14 3kwc h ALA 202 N 1.48 -0.83 0.00 0.18 0.00 -1.63 -1.03 119.26 117.42 3kwc h ALA 202 Ca -0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3kwc h ALA 202 Cb 1.48 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 19.87 3kwc h ALA 202 CO 0.05 -1.01 -0.05 -1.00 0.00 0.00 0.00 179.25 177.24 3kwc h PRO 203 N -0.77 0.00 -0.03 0.00 0.13 -1.81 -0.94 132.00 128.58 3kwc h PRO 203 Ca -0.02 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.03 3kwc h PRO 203 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3kwc h PRO 203 CO -0.11 0.05 -0.28 0.82 -0.23 0.00 0.00 178.00 178.25 3kwc h ILE 204 N 0.00 1.48 -0.55 -3.56 2.04 -1.63 -3.09 117.51 112.20 3kwc h ILE 204 Ca -0.00 -1.82 -0.09 0.00 1.00 0.00 0.00 64.86 63.95 3kwc h ILE 204 Cb 0.16 2.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 3kwc h ILE 204 CO 0.01 0.51 -0.02 -0.09 0.00 0.00 0.00 178.15 178.55 3kwc h ARG 205 N -0.33 0.96 0.00 2.37 2.43 -0.95 -2.98 114.38 115.88 3kwc h ARG 205 Ca -0.03 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 58.83 3kwc h ARG 205 Cb 0.98 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.44 3kwc h ARG 205 CO 0.06 0.96 -0.09 -0.91 -1.51 0.00 0.00 179.97 178.48 3kwc h ASN 206 N 0.88 0.00 0.97 -3.80 2.35 -1.27 -2.25 115.58 112.45 3kwc h ASN 206 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3kwc h ASN 206 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 3kwc h ASN 206 CO 0.03 0.09 0.00 -0.08 -1.65 0.00 0.00 177.43 175.82 3kwc h GLU 207 N 0.00 0.00 0.00 0.81 4.57 -1.43 -3.51 114.58 115.02 3kwc h GLU 207 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3kwc h GLU 207 Cb 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 3kwc h GLU 207 CO 0.01 0.00 0.00 1.28 -1.18 0.00 0.00 179.01 179.12