#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 3.66 0.10 1.08 0.01 -1.26 -2.06 113.70 115.23 3kwc s SER 5 Ca 0.00 -0.36 0.03 0.00 1.31 0.00 0.00 55.95 56.93 3kwc s SER 5 Cb 0.00 -1.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.06 3kwc s SER 5 CO 0.00 0.24 -0.08 -0.31 0.41 0.00 0.00 173.24 173.50 3kwc s TYR 6 N -0.13 0.95 0.53 2.43 2.02 -0.54 -5.02 117.35 117.59 3kwc s TYR 6 Ca -0.03 -0.78 -0.20 0.00 -0.37 0.00 0.00 57.07 55.70 3kwc s TYR 6 Cb -0.14 -0.53 -0.06 0.00 -0.40 0.00 0.00 41.96 40.83 3kwc s TYR 6 CO 0.04 -0.08 1.12 0.00 -1.57 0.00 0.00 175.55 175.06 3kwc s ALA 7 N -3.02 2.74 0.48 3.71 0.00 -1.26 -1.66 121.76 122.74 3kwc s ALA 7 Ca 0.08 0.80 -0.23 0.00 0.00 0.00 0.00 51.96 52.61 3kwc s ALA 7 Cb 0.01 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.72 3kwc s ALA 7 CO -0.02 -0.70 1.25 0.00 0.00 0.00 0.00 175.76 176.29 3kwc s ALA 8 N -1.78 2.97 0.56 0.00 0.00 -0.33 -4.46 121.76 118.71 3kwc s ALA 8 Ca 0.71 1.11 -0.15 0.00 0.00 0.00 0.00 51.96 53.64 3kwc s ALA 8 Cb -0.23 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.37 3kwc s ALA 8 CO 0.26 -0.92 1.01 -1.25 0.00 0.00 0.00 175.76 174.86 3kwc s PRO 9 N -2.69 3.73 0.10 0.00 0.04 -1.26 -4.34 135.00 130.58 3kwc s PRO 9 Ca 0.65 0.96 -0.31 0.00 0.04 0.00 0.00 61.00 62.34 3kwc s PRO 9 Cb -0.34 -2.10 -0.07 0.00 0.04 0.00 0.00 34.50 32.03 3kwc s PRO 9 CO 0.41 -0.45 1.27 -1.25 0.04 0.00 0.00 177.00 177.01 3kwc s PRO 10 N -4.32 4.40 0.29 0.56 0.04 -1.26 -4.78 135.00 129.94 3kwc s PRO 10 Ca 0.59 1.89 0.04 0.00 0.04 0.00 0.00 61.00 63.56 3kwc s PRO 10 Cb -0.11 -3.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 3kwc s PRO 10 CO 0.37 -0.30 0.20 0.95 0.04 0.00 0.00 177.00 178.27 3kwc s THR 11 N 0.91 0.11 -0.13 1.26 -4.23 0.54 -5.00 115.64 109.11 3kwc s THR 11 Ca 0.60 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.36 3kwc s THR 11 Cb -0.33 -2.50 0.26 0.00 1.34 0.00 0.00 72.50 71.28 3kwc s THR 11 CO 0.31 0.00 1.77 -0.65 -0.54 0.00 0.00 174.62 175.51 3kwc h PRO 12 N 2.27 0.00 0.00 3.99 0.11 -2.01 -3.01 132.00 133.35 3kwc h PRO 12 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 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 0.46 0.00 -0.64 -2.67 -0.21 0.00 0.00 178.00 174.94 3kwc n TRP 13 N -2.39 0.00 -3.73 0.65 2.14 -1.26 -5.00 117.44 107.85 3kwc n TRP 13 Ca -0.01 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.43 3kwc n TRP 13 Cb 0.08 -0.01 -0.10 0.00 -0.81 0.00 0.00 31.31 30.47 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 -2.26 -0.42 0.00 -0.67 0.15 -1.14 -5.04 113.70 104.32 3kwc s SER 14 Ca 0.05 0.80 0.05 0.00 0.70 0.00 0.00 55.95 57.54 3kwc s SER 14 Cb 0.10 0.79 0.08 0.00 -1.71 0.00 0.00 66.02 65.27 3kwc s SER 14 CO 0.53 -0.14 0.99 0.54 1.20 0.00 0.00 173.24 176.35 3kwc n ARG 15 N 3.09 0.00 0.06 5.44 1.74 -1.26 -0.34 116.66 125.39 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 0.57 -0.35 0.14 0.00 -1.02 0.00 0.00 32.46 31.80 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 0.18 0.00 -5.93 0.55 3.04 -1.93 -3.48 116.42 108.85 3kwc h ASP 16 Ca -0.05 -0.20 -0.44 0.00 -3.24 0.00 0.00 57.03 53.10 3kwc h ASP 16 Cb 1.46 0.00 0.03 0.00 -1.04 0.00 0.00 39.33 39.78 3kwc h ASP 16 CO 0.01 0.10 -0.71 0.18 -2.04 0.00 0.00 179.24 176.79 3kwc n LEU 17 N -2.17 -2.82 -4.78 0.15 4.77 -1.26 -4.89 117.00 106.00 3kwc n LEU 17 Ca 0.03 -0.63 -0.41 0.00 -0.03 0.00 0.00 56.01 54.97 3kwc n LEU 17 Cb 0.45 -2.75 0.01 0.00 -2.33 0.00 0.00 43.42 38.80 3kwc n LEU 17 CO 0.37 0.50 1.13 0.00 -1.33 0.00 0.00 177.39 178.06 3kwc n ALA 18 N -4.65 2.33 -2.48 -1.18 0.00 -1.26 -4.22 120.51 109.04 3kwc n ALA 18 Ca 0.02 0.31 -0.26 0.00 0.00 0.00 0.00 53.44 53.50 3kwc n ALA 18 Cb 0.55 -2.42 -0.11 0.00 0.00 0.00 0.00 19.45 17.47 3kwc n ALA 18 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3kwc s GLU 19 N -2.23 1.72 0.27 0.00 2.02 -1.26 -1.19 118.70 118.03 3kwc s GLU 19 Ca 0.56 -1.49 -0.31 0.00 0.02 0.00 0.00 54.97 53.75 3kwc s GLU 19 Cb -0.46 -1.93 -0.12 0.00 0.10 0.00 0.00 34.13 31.72 3kwc s GLU 19 CO 0.62 0.40 1.62 -2.30 0.02 0.00 0.00 175.26 175.61 3kwc n PRO 20 N 0.02 2.68 -3.34 0.39 -0.02 -0.60 -4.47 135.00 129.65 3kwc n PRO 20 Ca -0.11 0.96 -0.43 0.00 -2.02 0.00 0.00 63.50 61.90 3kwc n PRO 20 Cb 0.57 -2.75 -0.09 0.00 -0.02 0.00 0.00 33.50 31.21 3kwc n PRO 20 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3kwc s GLU 21 N -0.07 3.06 -0.22 -0.52 2.02 -0.05 -4.93 118.70 117.98 3kwc s GLU 21 Ca 0.67 -0.87 -0.03 0.00 0.02 0.00 0.00 54.97 54.76 3kwc s GLU 21 Cb -0.51 -3.99 -0.00 0.00 0.10 0.00 0.00 34.13 29.72 3kwc s GLU 21 CO 0.44 -0.87 -0.06 0.42 0.02 0.00 0.00 175.26 175.22 3kwc s ILE 22 N 2.04 3.23 0.38 -1.63 1.01 -1.26 -0.46 121.20 124.51 3kwc s ILE 22 Ca 0.10 -0.57 -0.28 0.00 0.00 0.00 0.00 60.65 59.91 3kwc s ILE 22 Cb -0.18 -2.48 -0.11 0.00 0.01 0.00 0.00 42.46 39.70 3kwc s ILE 22 CO 0.12 0.42 1.47 0.00 0.00 0.00 0.00 174.94 176.94 3kwc n ALA 23 N 4.78 2.26 0.30 9.38 0.00 -0.40 -4.88 120.51 131.94 3kwc n ALA 23 Ca -0.18 0.34 0.16 0.00 0.00 0.00 0.00 53.44 53.75 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 -1.00 0.00 0.00 0.00 177.50 176.50 3kwc h PRO 24 N 2.86 0.00 -0.05 0.00 0.13 -1.93 -1.81 132.00 131.21 3kwc h PRO 24 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3kwc h PRO 24 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3kwc h PRO 24 CO 0.64 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.66 3kwc n THR 25 N -2.66 0.04 -2.85 1.56 -2.24 -1.26 -4.90 114.28 101.97 3kwc n THR 25 Ca -0.00 -0.25 -0.28 0.00 -2.27 0.00 0.00 64.05 61.25 3kwc n THR 25 Cb 0.17 0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.96 3.45 -0.15 6.98 0.00 -0.68 -3.34 121.76 126.06 3kwc s ALA 26 Ca 0.37 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.86 3kwc s ALA 26 Cb 0.20 -2.53 0.03 0.00 0.00 0.00 0.00 23.12 20.82 3kwc s ALA 26 CO 0.32 -0.16 -0.11 -0.47 0.00 0.00 0.00 175.76 175.34 3kwc s TYR 27 N -2.53 1.96 -0.23 0.00 5.04 -0.11 -4.93 117.35 116.54 3kwc s TYR 27 Ca 0.47 -1.12 -0.06 0.00 -2.44 0.00 0.00 57.07 53.93 3kwc s TYR 27 Cb -0.10 -1.47 -0.02 0.00 0.35 0.00 0.00 41.96 40.72 3kwc s TYR 27 CO 0.39 -0.63 0.02 0.08 -1.34 0.00 0.00 175.55 174.06 3kwc s VAL 28 N 1.55 3.86 0.54 3.14 1.01 -1.26 -1.52 120.40 127.72 3kwc s VAL 28 Ca 0.04 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 61.47 3kwc s VAL 28 Cb -0.13 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 3kwc s VAL 28 CO -0.09 0.38 1.37 -1.00 0.00 0.00 0.00 175.10 175.76 3kwc s HIS 29 N 1.53 2.28 0.28 5.22 3.76 -0.55 -4.93 115.29 122.88 3kwc s HIS 29 Ca 0.06 1.35 -0.03 0.00 -0.15 0.00 0.00 55.06 56.29 3kwc s HIS 29 Cb -0.15 -3.83 0.37 0.00 1.11 0.00 0.00 32.58 30.08 3kwc s HIS 29 CO 0.00 -2.97 1.91 0.66 -0.85 0.00 0.00 174.74 173.50 3kwc h SER 30 N 1.54 0.98 0.00 1.40 4.64 -1.96 -3.31 113.55 116.84 3kwc h SER 30 Ca -0.51 -0.07 -0.70 0.00 -0.47 0.00 0.00 61.79 60.04 3kwc h SER 30 Cb 1.30 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 63.11 3kwc h SER 30 CO 0.58 0.77 3.12 0.33 -0.87 0.00 0.00 176.83 180.75 3kwc n PHE 31 N -4.36 3.40 -3.90 4.77 7.35 -1.26 -4.08 117.46 119.37 3kwc n PHE 31 Ca 0.09 -2.92 -0.08 0.00 -0.76 0.00 0.00 57.45 53.78 3kwc n PHE 31 Cb 0.08 -2.51 -0.03 0.00 0.35 0.00 0.00 39.48 37.37 3kwc n PHE 31 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3kwc s SER 32 N 3.26 -0.20 -0.04 -2.13 1.04 -1.25 0.01 113.70 114.39 3kwc s SER 32 Ca 0.48 -0.72 -0.00 0.00 0.48 0.00 0.00 55.95 56.19 3kwc s SER 32 Cb 0.14 0.67 0.03 0.00 0.10 0.00 0.00 66.02 66.95 3kwc s SER 32 CO -0.08 -1.25 0.01 0.21 0.98 0.00 0.00 173.24 173.11 3kwc s ASN 33 N -2.95 0.86 -0.08 7.02 2.47 0.12 -3.46 114.94 118.91 3kwc s ASN 33 Ca 0.15 -0.03 0.03 0.00 0.42 0.00 0.00 52.86 53.43 3kwc s ASN 33 Cb -0.04 -0.28 0.01 0.00 -1.45 0.00 0.00 41.25 39.49 3kwc s ASN 33 CO 0.07 -0.14 -0.18 -0.76 -3.72 0.00 0.00 177.10 172.37 3kwc s LEU 34 N 1.41 1.85 -0.03 3.21 1.43 -0.88 -1.00 118.68 124.67 3kwc s LEU 34 Ca -0.04 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 3kwc s LEU 34 Cb -0.13 -1.09 0.01 0.00 0.03 0.00 0.00 46.19 45.01 3kwc s LEU 34 CO -0.03 0.09 -0.08 -0.63 0.23 0.00 0.00 176.35 175.93 3kwc s ILE 35 N 0.52 0.74 0.00 -0.59 1.01 -0.37 -1.46 121.20 121.04 3kwc s ILE 35 Ca -0.17 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.17 3kwc s ILE 35 Cb -0.17 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.63 3kwc s ILE 35 CO 0.06 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.85 3kwc n GLY 36 N 3.46 -1.78 3.58 6.18 0.00 -0.66 -1.34 105.19 114.63 3kwc n GLY 36 Ca -0.20 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 3kwc n GLY 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kwc s ASP 37 N -4.00 5.87 -0.26 1.61 3.68 -1.25 -1.56 116.67 120.76 3kwc s ASP 37 Ca 0.00 -1.93 -0.02 0.00 2.13 0.00 0.00 52.55 52.72 3kwc s ASP 37 Cb 0.00 -2.58 0.03 0.00 -1.45 0.00 0.00 42.92 38.91 3kwc s ASP 37 CO 0.00 -2.19 -0.03 -0.69 0.13 0.00 0.00 175.17 172.39 3kwc s VAL 38 N 7.83 3.04 -0.56 1.11 1.01 -1.26 -1.44 120.40 130.11 3kwc s VAL 38 Ca 0.61 -1.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 3kwc s VAL 38 Cb 0.01 -2.58 0.14 0.00 0.00 0.00 0.00 36.38 33.95 3kwc s VAL 38 CO 0.09 0.13 0.49 -0.13 0.00 0.00 0.00 175.10 175.68 3kwc s ARG 39 N 1.33 2.91 -0.28 2.72 0.52 -0.52 -0.87 118.95 124.77 3kwc s ARG 39 Ca -0.00 -1.86 -0.10 0.00 -0.52 0.00 0.00 55.73 53.24 3kwc s ARG 39 Cb -0.17 -4.19 -0.04 0.00 0.52 0.00 0.00 34.95 31.07 3kwc s ARG 39 CO -0.03 -1.28 0.16 0.42 0.02 0.00 0.00 175.30 174.59 3kwc s ILE 40 N 1.27 5.04 0.48 1.52 1.01 0.40 -1.37 121.20 129.54 3kwc s ILE 40 Ca 0.06 0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.72 3kwc s ILE 40 Cb -0.26 -3.41 0.10 0.00 0.01 0.00 0.00 42.46 38.90 3kwc s ILE 40 CO -0.00 0.24 0.66 0.29 0.00 0.00 0.00 174.94 176.13 3kwc n LYS 41 N 5.03 -0.01 -1.70 2.79 4.76 -0.93 -1.28 118.16 126.82 3kwc n LYS 41 Ca -0.14 -1.61 -0.41 0.00 -2.87 0.00 0.00 58.31 53.28 3kwc n LYS 41 Cb 0.52 -0.49 0.01 0.00 -1.84 0.00 0.00 35.03 33.23 3kwc n LYS 41 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3kwc n ASP 42 N -3.05 2.48 -3.16 4.39 8.00 -1.26 -3.61 116.55 120.33 3kwc n ASP 42 Ca 0.10 1.10 -0.23 0.00 0.71 0.00 0.00 54.79 56.47 3kwc n ASP 42 Cb 0.36 -1.50 0.05 0.00 -0.02 0.00 0.00 41.12 40.02 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 -0.27 -2.24 -3.41 1.24 4.01 -1.21 -1.78 117.16 113.50 3kwc n TYR 43 Ca 0.07 0.67 -0.38 0.00 -0.16 0.00 0.00 57.90 58.10 3kwc n TYR 43 Cb 0.40 -4.65 -0.06 0.00 -0.31 0.00 0.00 39.34 34.72 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 -3.22 4.96 -0.26 -0.72 1.01 -1.24 -3.33 120.40 117.59 3kwc s VAL 44 Ca 0.39 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 63.33 3kwc s VAL 44 Cb -0.17 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.46 3kwc s VAL 44 CO 0.48 0.54 -0.05 -2.28 0.00 0.00 0.00 175.10 173.80 3kwc s HIS 45 N -0.90 3.13 -0.29 5.22 2.46 -1.15 -0.94 115.29 122.82 3kwc s HIS 45 Ca 0.26 -1.69 -0.05 0.00 0.47 0.00 0.00 55.06 54.04 3kwc s HIS 45 Cb -0.17 -2.06 0.02 0.00 -0.13 0.00 0.00 32.58 30.24 3kwc s HIS 45 CO 0.15 -0.76 0.04 0.42 -2.47 0.00 0.00 174.74 172.12 3kwc s ILE 46 N 1.29 3.57 0.76 0.89 1.01 -0.58 -0.92 121.20 127.23 3kwc s ILE 46 Ca -0.02 -0.92 -0.10 0.00 0.00 0.00 0.00 60.65 59.62 3kwc s ILE 46 Cb -0.18 -2.89 0.07 0.00 0.01 0.00 0.00 42.46 39.48 3kwc s ILE 46 CO -0.04 0.05 1.11 0.00 0.00 0.00 0.00 174.94 176.06 3kwc s ALA 47 N 1.42 2.87 0.63 9.38 0.00 0.39 -1.48 121.76 134.95 3kwc s ALA 47 Ca 0.00 -0.76 -0.18 0.00 0.00 0.00 0.00 51.96 51.02 3kwc s ALA 47 Cb -0.18 -2.81 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 3kwc s ALA 47 CO 0.00 -1.51 1.26 -2.14 0.00 0.00 0.00 175.76 173.37 3kwc s PRO 48 N -5.44 2.72 0.00 0.00 0.02 -1.26 -3.66 135.00 127.38 3kwc s PRO 48 Ca 0.61 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.59 3kwc s PRO 48 Cb -0.11 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.53 3kwc s PRO 48 CO 0.47 -1.44 0.00 0.41 -0.33 0.00 0.00 177.00 176.11 3kwc n GLY 49 N 0.72 0.66 3.80 0.52 0.00 0.10 -2.48 105.19 108.52 3kwc n GLY 49 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.26 4.97 -0.23 2.61 -4.23 -1.24 -3.72 115.64 111.54 3kwc s THR 50 Ca 0.00 1.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.52 3kwc s THR 50 Cb 0.00 -3.80 0.05 0.00 1.34 0.00 0.00 72.50 70.09 3kwc s THR 50 CO 0.00 0.51 -0.11 -0.55 -0.54 0.00 0.00 174.62 173.93 3kwc s SER 51 N -0.68 3.85 -0.23 3.99 0.15 -0.63 -0.70 113.70 119.45 3kwc s SER 51 Ca 0.26 -1.10 -0.02 0.00 0.70 0.00 0.00 55.95 55.79 3kwc s SER 51 Cb -0.17 -1.39 0.01 0.00 -1.71 0.00 0.00 66.02 62.76 3kwc s SER 51 CO 0.15 -0.16 -0.07 -0.63 1.20 0.00 0.00 173.24 173.73 3kwc s ILE 52 N 1.26 2.99 -0.29 6.45 1.01 -0.17 -1.16 121.20 131.30 3kwc s ILE 52 Ca -0.04 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 59.78 3kwc s ILE 52 Cb -0.18 -2.43 0.10 0.00 0.01 0.00 0.00 42.46 39.96 3kwc s ILE 52 CO -0.07 0.32 0.11 -0.60 0.00 0.00 0.00 174.94 174.69 3kwc s ARG 53 N 1.38 0.47 -0.98 2.79 3.52 -0.24 -1.24 118.95 124.66 3kwc s ARG 53 Ca 0.03 -0.76 -0.01 0.00 -0.13 0.00 0.00 55.73 54.87 3kwc s ARG 53 Cb -0.15 -1.65 0.32 0.00 -1.56 0.00 0.00 34.95 31.91 3kwc s ARG 53 CO -0.05 -0.96 1.78 0.00 -0.81 0.00 0.00 175.30 175.26 3kwc n ALA 54 N 5.05 6.01 0.20 6.12 0.00 -0.45 -4.40 120.51 133.04 3kwc n ALA 54 Ca -0.04 -4.57 0.07 0.00 0.00 0.00 0.00 53.44 48.89 3kwc n ALA 54 Cb 0.43 -2.05 -0.09 0.00 0.00 0.00 0.00 19.45 17.73 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 -0.12 1.49 0.00 0.00 3.85 -1.26 -4.25 116.55 116.26 3kwc n ASP 55 Ca 0.46 -0.27 0.00 0.00 -0.71 0.00 0.00 54.79 54.27 3kwc n ASP 55 Cb 0.27 1.41 0.00 0.00 -1.35 0.00 0.00 41.12 41.45 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 -1.75 0.00 -2.25 0.11 1.02 -1.26 -4.89 120.64 111.62 3kwc n GLU 56 Ca -0.01 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.72 3kwc n GLU 56 Cb 0.30 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.69 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 -0.16 2.79 -0.14 0.62 0.00 -0.47 -4.61 107.32 105.34 3kwc s GLY 57 Ca 0.00 1.10 -0.29 0.00 0.00 0.00 0.00 44.72 45.53 3kwc s GLY 57 CO 0.00 1.88 0.80 -1.08 0.00 0.00 0.00 173.10 174.70 3kwc s THR 58 N -0.59 0.00 0.79 0.90 -1.32 -1.26 -4.58 115.64 109.58 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 -0.36 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 69.75 3kwc s THR 58 CO 0.44 0.00 1.11 -2.16 -2.21 0.00 0.00 174.62 171.79 3kwc s PRO 59 N -0.73 1.58 0.03 7.08 0.04 -1.26 -4.34 135.00 137.39 3kwc s PRO 59 Ca -0.05 -0.52 0.07 0.00 0.04 0.00 0.00 61.00 60.54 3kwc s PRO 59 Cb -0.02 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 3kwc s PRO 59 CO 0.05 -1.66 -0.17 -0.06 0.04 0.00 0.00 177.00 175.19 3kwc s PHE 60 N -3.43 2.58 -0.09 0.56 0.08 -0.52 -1.67 117.98 115.48 3kwc s PHE 60 Ca 0.66 -0.24 0.02 0.00 0.12 0.00 0.00 56.93 57.49 3kwc s PHE 60 Cb -0.07 -1.48 0.01 0.00 -0.57 0.00 0.00 43.02 40.91 3kwc s PHE 60 CO 0.47 0.25 -0.15 -1.58 -0.10 0.00 0.00 175.22 174.11 3kwc s HIS 61 N -0.91 1.86 -0.20 0.36 5.65 -0.41 -1.43 115.29 120.21 3kwc s HIS 61 Ca 0.14 -0.81 0.01 0.00 0.25 0.00 0.00 55.06 54.65 3kwc s HIS 61 Cb -0.11 -1.34 0.04 0.00 -1.18 0.00 0.00 32.58 29.99 3kwc s HIS 61 CO 0.05 -0.41 -0.14 0.42 -0.65 0.00 0.00 174.74 174.01 3kwc s ILE 62 N 0.84 1.89 0.98 0.89 1.01 -0.47 -0.67 121.20 125.67 3kwc s ILE 62 Ca -0.10 -1.08 -0.14 0.00 0.00 0.00 0.00 60.65 59.33 3kwc s ILE 62 Cb -0.15 -1.86 0.18 0.00 0.01 0.00 0.00 42.46 40.64 3kwc s ILE 62 CO 0.01 0.28 1.16 -0.83 0.00 0.00 0.00 174.94 175.56 3kwc s GLY 63 N 1.31 1.61 0.36 6.18 0.00 -0.10 -2.19 107.32 114.48 3kwc s GLY 63 Ca -0.00 -0.71 -0.27 0.00 0.00 0.00 0.00 44.72 43.73 3kwc s GLY 63 CO -0.09 -0.06 1.17 -1.35 0.00 0.00 0.00 173.10 172.78 3kwc s SER 64 N -4.12 6.77 -1.61 1.64 1.04 -1.26 -3.29 113.70 112.87 3kwc s SER 64 Ca 0.67 2.38 0.00 0.00 0.48 0.00 0.00 55.95 59.48 3kwc s SER 64 Cb -0.12 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.38 3kwc s SER 64 CO 0.54 -0.50 0.00 0.54 0.98 0.00 0.00 173.24 174.79 3kwc n ARG 65 N 0.49 -1.12 -3.65 4.02 1.74 -0.74 -0.90 116.66 116.50 3kwc n ARG 65 Ca 0.02 1.00 -0.37 0.00 -0.77 0.00 0.00 57.85 57.73 3kwc n ARG 65 Cb 0.45 -5.21 -0.06 0.00 -1.02 0.00 0.00 32.46 26.63 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 -2.62 5.22 0.06 0.55 2.01 -1.21 -3.98 115.64 115.68 3kwc s THR 66 Ca 0.00 0.57 0.06 0.00 0.31 0.00 0.00 61.69 62.63 3kwc s THR 66 Cb 0.00 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 3kwc s THR 66 CO 0.00 0.58 -0.10 0.54 -0.69 0.00 0.00 174.62 174.95 3kwc s ASN 67 N -1.10 4.38 -0.27 3.53 2.20 -0.30 -2.94 114.94 120.43 3kwc s ASN 67 Ca 0.21 -0.31 0.02 0.00 -0.94 0.00 0.00 52.86 51.83 3kwc s ASN 67 Cb -0.15 -0.88 0.07 0.00 -2.00 0.00 0.00 41.25 38.29 3kwc s ASN 67 CO 0.10 0.23 -0.02 -0.63 -2.94 0.00 0.00 177.10 173.84 3kwc s ILE 68 N -1.09 1.72 0.00 0.54 -1.09 -0.10 -1.14 121.20 120.04 3kwc s ILE 68 Ca 0.19 -1.58 0.00 0.00 -2.23 0.00 0.00 60.65 57.03 3kwc s ILE 68 Cb -0.11 -2.07 0.00 0.00 -1.58 0.00 0.00 42.46 38.70 3kwc s ILE 68 CO 0.10 -0.28 0.00 0.00 -1.23 0.00 0.00 174.94 173.53 3kwc n GLN 69 N 4.56 0.46 -2.10 2.79 6.02 -0.18 -0.46 117.38 128.46 3kwc n GLN 69 Ca -0.07 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.51 3kwc n GLN 69 Cb 0.43 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.67 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 -1.00 6.75 -0.10 1.08 1.11 -1.26 -3.34 116.67 119.91 3kwc s ASP 70 Ca 0.00 2.64 0.00 0.00 0.18 0.00 0.00 52.55 55.37 3kwc s ASP 70 Cb 0.00 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.36 3kwc s ASP 70 CO 0.00 -0.59 0.00 0.61 1.18 0.00 0.00 175.17 176.37 3kwc n GLY 71 N 1.52 0.44 3.77 0.21 0.00 -1.03 -0.41 105.19 109.68 3kwc n GLY 71 Ca 0.03 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.81 3.34 -0.06 1.61 1.01 -1.21 -4.34 120.40 118.93 3kwc s VAL 72 Ca 0.00 1.18 0.06 0.00 0.00 0.00 0.00 61.98 63.22 3kwc s VAL 72 Cb 0.00 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 3kwc s VAL 72 CO 0.00 0.16 -0.25 -0.69 0.00 0.00 0.00 175.10 174.33 3kwc s VAL 73 N -1.37 2.03 -0.09 2.92 1.01 -0.96 -1.60 120.40 122.34 3kwc s VAL 73 Ca 0.53 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3kwc s VAL 73 Cb -0.30 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.38 3kwc s VAL 73 CO 0.38 0.56 -0.11 -0.63 0.00 0.00 0.00 175.10 175.31 3kwc s ILE 74 N -0.07 1.15 0.33 2.22 1.01 -0.31 -1.58 121.20 123.94 3kwc s ILE 74 Ca -0.06 -0.42 -0.06 0.00 0.00 0.00 0.00 60.65 60.10 3kwc s ILE 74 Cb -0.14 -1.10 0.01 0.00 0.01 0.00 0.00 42.46 41.24 3kwc s ILE 74 CO 0.05 0.37 0.50 -2.28 0.00 0.00 0.00 174.94 173.58 3kwc s HIS 75 N 1.17 0.83 -0.11 3.97 2.46 -1.09 -1.07 115.29 121.45 3kwc s HIS 75 Ca -0.05 -1.14 -0.28 0.00 0.47 0.00 0.00 55.06 54.07 3kwc s HIS 75 Cb -0.14 0.06 0.07 0.00 -0.13 0.00 0.00 32.58 32.44 3kwc s HIS 75 CO -0.03 -1.15 0.65 0.20 -2.47 0.00 0.00 174.74 171.95 3kwc s GLY 76 N -3.18 -0.53 0.47 1.59 0.00 -1.26 -0.90 107.32 103.52 3kwc s GLY 76 Ca 0.27 1.42 -0.24 0.00 0.00 0.00 0.00 44.72 46.17 3kwc s GLY 76 CO 0.17 1.10 1.32 1.08 0.00 0.00 0.00 173.10 176.76 3kwc s LEU 77 N -0.76 4.04 0.17 0.66 1.43 -0.72 -1.37 118.68 122.13 3kwc s LEU 77 Ca -0.08 2.68 -0.15 0.00 -1.03 0.00 0.00 54.13 55.55 3kwc s LEU 77 Cb -0.02 -4.09 0.10 0.00 0.03 0.00 0.00 46.19 42.21 3kwc s LEU 77 CO 0.07 -1.16 1.76 -0.61 0.23 0.00 0.00 176.35 176.65 3kwc h GLN 78 N 2.10 0.36 -5.71 1.70 -0.00 -1.92 -3.14 115.11 108.50 3kwc h GLN 78 Ca -0.50 -0.02 -0.66 0.00 -0.00 0.00 0.00 58.65 57.47 3kwc h GLN 78 Cb 1.27 -0.08 -0.06 0.00 0.00 0.00 0.00 27.48 28.60 3kwc h GLN 78 CO 0.60 0.24 -0.47 -0.65 0.00 0.00 0.00 178.83 178.55 3kwc s GLN 79 N -6.14 3.47 0.00 1.69 -1.52 -1.26 -4.54 119.66 111.36 3kwc s GLN 79 Ca -0.13 -0.15 0.00 0.00 -1.95 0.00 0.00 55.36 53.13 3kwc s GLN 79 Cb 0.13 -3.16 0.00 0.00 -0.22 0.00 0.00 33.01 29.76 3kwc s GLN 79 CO 0.72 0.74 0.00 0.41 -0.25 0.00 0.00 175.29 176.92 3kwc n GLY 80 N 1.68 2.55 3.10 3.09 0.00 -1.26 -4.80 105.19 109.56 3kwc n GLY 80 Ca -0.17 -1.17 -0.13 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 -4.32 0.65 0.37 1.61 1.81 -1.26 -4.43 118.95 113.38 3kwc s ARG 81 Ca 0.00 -0.95 0.08 0.00 -1.72 0.00 0.00 55.73 53.14 3kwc s ARG 81 Cb 0.00 -0.31 -0.03 0.00 -0.45 0.00 0.00 34.95 34.16 3kwc s ARG 81 CO 0.00 0.04 0.28 0.14 -0.68 0.00 0.00 175.30 175.08 3kwc s VAL 82 N -2.04 3.00 -0.31 3.52 -7.23 0.65 -4.92 120.40 113.06 3kwc s VAL 82 Ca -0.03 -1.46 -0.12 0.00 -1.81 0.00 0.00 61.98 58.57 3kwc s VAL 82 Cb -0.05 -3.06 -0.03 0.00 0.56 0.00 0.00 36.38 33.80 3kwc s VAL 82 CO -0.01 -0.10 0.21 -0.63 -0.31 0.00 0.00 175.10 174.27 3kwc s ILE 83 N -2.42 5.26 0.90 -0.62 -1.09 -1.26 -0.90 121.20 121.08 3kwc s ILE 83 Ca 0.43 -0.05 -0.13 0.00 -2.23 0.00 0.00 60.65 58.66 3kwc s ILE 83 Cb -0.03 -3.62 0.14 0.00 -1.58 0.00 0.00 42.46 37.37 3kwc s ILE 83 CO 0.26 0.11 1.18 -0.83 -1.23 0.00 0.00 174.94 174.43 3kwc s GLY 84 N 1.73 1.62 0.56 6.18 0.00 0.05 -4.91 107.32 112.54 3kwc s GLY 84 Ca 0.06 -0.72 0.30 0.00 0.00 0.00 0.00 44.72 44.37 3kwc s GLY 84 CO 0.11 -0.12 2.15 -0.55 0.00 0.00 0.00 173.10 174.68 3kwc h ASP 85 N -1.43 0.00 0.00 1.64 3.45 -1.99 -0.81 116.42 117.27 3kwc h ASP 85 Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 3kwc h ASP 85 Cb 1.31 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.08 3kwc h ASP 85 CO 0.58 0.07 0.00 -0.90 -1.57 0.00 0.00 179.24 177.41 3kwc n ASP 86 N -3.59 0.00 0.00 6.45 5.68 -1.26 -4.91 116.55 118.92 3kwc n ASP 86 Ca -0.02 -1.29 0.00 0.00 -0.50 0.00 0.00 54.79 52.98 3kwc n ASP 86 Cb 0.18 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 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 0.85 0.83 3.94 6.12 0.00 -0.31 -5.03 105.19 111.59 3kwc n GLY 87 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.08 3.36 -0.20 1.61 -1.52 -1.26 -4.80 119.66 116.77 3kwc s GLN 88 Ca 0.00 -0.37 -0.19 0.00 -1.95 0.00 0.00 55.36 52.84 3kwc s GLN 88 Cb 0.00 -2.63 -0.03 0.00 -0.22 0.00 0.00 33.01 30.13 3kwc s GLN 88 CO 0.00 0.02 0.55 -1.21 -0.25 0.00 0.00 175.29 174.40 3kwc s GLU 89 N -4.40 4.19 0.04 2.91 2.02 -1.26 -0.77 118.70 121.43 3kwc s GLU 89 Ca 0.43 0.48 0.08 0.00 0.02 0.00 0.00 54.97 55.97 3kwc s GLU 89 Cb -0.10 -3.57 -0.03 0.00 0.10 0.00 0.00 34.13 30.53 3kwc s GLU 89 CO 0.37 -0.19 -0.22 0.71 0.02 0.00 0.00 175.26 175.95 3kwc s TYR 90 N 1.77 1.92 -0.02 1.61 1.51 -0.08 -4.51 117.35 119.54 3kwc s TYR 90 Ca 0.25 -0.38 -0.25 0.00 -1.01 0.00 0.00 57.07 55.68 3kwc s TYR 90 Cb -0.16 -1.15 -0.19 0.00 -0.11 0.00 0.00 41.96 40.35 3kwc s TYR 90 CO 0.10 0.10 1.22 1.03 -1.11 0.00 0.00 175.55 176.88 3kwc h SER 91 N 4.87 -0.06 -3.40 2.29 0.87 -1.51 0.19 113.55 116.79 3kwc h SER 91 Ca -0.43 -0.44 -0.52 0.00 -1.23 0.00 0.00 61.79 59.17 3kwc h SER 91 Cb 1.16 0.02 -0.34 0.00 -0.44 0.00 0.00 62.40 62.80 3kwc h SER 91 CO 0.44 0.42 -0.82 -0.69 -0.53 0.00 0.00 176.83 175.65 3kwc s VAL 92 N -4.20 1.17 -0.19 2.23 1.01 -1.18 -1.59 120.40 117.66 3kwc s VAL 92 Ca -0.15 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3kwc s VAL 92 Cb 0.02 -1.07 0.04 0.00 0.00 0.00 0.00 36.38 35.37 3kwc s VAL 92 CO 0.64 0.36 -0.08 0.86 0.00 0.00 0.00 175.10 176.88 3kwc s TRP 93 N 0.70 2.15 -0.16 5.22 -0.11 -0.71 -1.29 118.94 124.74 3kwc s TRP 93 Ca -0.14 -1.40 -0.02 0.00 1.22 0.00 0.00 56.10 55.77 3kwc s TRP 93 Cb -0.16 -1.52 -0.01 0.00 -1.50 0.00 0.00 33.47 30.28 3kwc s TRP 93 CO 0.03 -0.70 -0.09 0.42 -4.62 0.00 0.00 176.95 171.99 3kwc s ILE 94 N 1.48 3.22 0.00 5.86 1.01 0.16 -0.43 121.20 132.50 3kwc s ILE 94 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.06 3kwc s ILE 94 Cb -0.16 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 39.92 3kwc s ILE 94 CO -0.08 0.49 0.00 0.61 0.00 0.00 0.00 174.94 175.96 3kwc n GLY 95 N 3.95 -1.07 3.83 6.18 0.00 -0.48 -0.92 105.19 116.68 3kwc n GLY 95 Ca -0.18 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 3kwc n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kwc s ASP 96 N -1.04 6.80 -1.48 1.61 -0.00 -1.26 -2.98 116.67 118.31 3kwc s ASP 96 Ca 0.00 1.58 -0.12 0.00 -0.00 0.00 0.00 52.55 54.01 3kwc s ASP 96 Cb 0.00 -2.50 0.07 0.00 -0.00 0.00 0.00 42.92 40.49 3kwc s ASP 96 CO 0.00 -0.42 0.83 0.59 -0.00 0.00 0.00 175.17 176.17 3kwc n ASN 97 N -0.95 -4.78 -4.85 0.27 5.03 -0.08 -1.28 115.26 108.62 3kwc n ASN 97 Ca 0.06 -0.63 -0.35 0.00 0.87 0.00 0.00 54.58 54.53 3kwc n ASN 97 Cb 0.54 -3.84 -0.06 0.00 -1.02 0.00 0.00 39.78 35.39 3kwc n ASN 97 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3kwc s VAL 98 N -3.20 5.22 -0.29 2.41 1.01 -1.26 -3.49 120.40 120.79 3kwc s VAL 98 Ca 0.57 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.45 3kwc s VAL 98 Cb -0.28 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.79 3kwc s VAL 98 CO 0.70 0.51 0.08 -0.44 0.00 0.00 0.00 175.10 175.95 3kwc s SER 99 N -1.32 5.13 -0.62 3.32 0.01 -0.74 -1.15 113.70 118.34 3kwc s SER 99 Ca 0.19 -0.70 -0.15 0.00 1.31 0.00 0.00 55.95 56.59 3kwc s SER 99 Cb -0.12 -1.88 0.15 0.00 0.21 0.00 0.00 66.02 64.38 3kwc s SER 99 CO 0.09 -0.19 0.57 -0.63 0.41 0.00 0.00 173.24 173.48 3kwc s ILE 100 N 1.50 5.27 0.86 1.44 -1.09 -0.29 -0.87 121.20 128.02 3kwc s ILE 100 Ca 0.03 -1.78 -0.10 0.00 -2.23 0.00 0.00 60.65 56.56 3kwc s ILE 100 Cb -0.17 -4.35 0.19 0.00 -1.58 0.00 0.00 42.46 36.55 3kwc s ILE 100 CO 0.02 -0.91 1.17 0.35 -1.23 0.00 0.00 174.94 174.34 3kwc n THR 101 N 4.88 0.00 -1.60 2.92 -2.24 -0.72 -1.01 114.28 116.50 3kwc n THR 101 Ca -0.06 -1.14 -0.54 0.00 -2.27 0.00 0.00 64.05 60.04 3kwc n THR 101 Cb 0.42 -1.31 -0.06 0.00 -2.10 0.00 0.00 70.33 67.27 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 -3.43 1.51 -1.25 4.78 8.25 -1.26 -1.89 115.22 121.92 3kwc n HIS 102 Ca 0.16 0.68 -0.09 0.00 -0.26 0.00 0.00 57.72 58.21 3kwc n HIS 102 Cb 0.56 -2.32 -0.04 0.00 1.12 0.00 0.00 29.99 29.31 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 2.89 -1.12 -1.93 -0.41 2.81 0.45 -1.12 117.12 118.69 3kwc n MET 103 Ca 0.20 0.75 -0.34 0.00 -1.81 0.00 0.00 57.70 56.50 3kwc n MET 103 Cb 0.16 -4.81 0.03 0.00 -0.71 0.00 0.00 33.22 27.89 3kwc n MET 103 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kwc s ALA 104 N -2.07 2.55 -0.16 3.04 0.00 -0.79 -4.12 121.76 120.22 3kwc s ALA 104 Ca 0.00 0.62 0.01 0.00 0.00 0.00 0.00 51.96 52.59 3kwc s ALA 104 Cb 0.00 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.82 3kwc s ALA 104 CO 0.00 -1.09 -0.16 -1.17 0.00 0.00 0.00 175.76 173.33 3kwc s LEU 105 N -4.52 1.83 -0.30 0.00 2.96 -0.69 -2.25 118.68 115.70 3kwc s LEU 105 Ca 0.69 -0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 54.01 3kwc s LEU 105 Cb -0.21 -1.28 0.03 0.00 0.50 0.00 0.00 46.19 45.23 3kwc s LEU 105 CO 0.37 -0.04 0.05 -0.63 -1.32 0.00 0.00 176.35 174.78 3kwc s ILE 106 N 1.42 3.55 -0.20 6.68 -1.09 -0.62 -1.80 121.20 129.14 3kwc s ILE 106 Ca 0.05 -1.01 0.01 0.00 -2.23 0.00 0.00 60.65 57.47 3kwc s ILE 106 Cb -0.13 -2.92 0.04 0.00 -1.58 0.00 0.00 42.46 37.87 3kwc s ILE 106 CO -0.11 -0.02 -0.13 -2.28 -1.23 0.00 0.00 174.94 171.17 3kwc s HIS 107 N 1.40 2.63 0.53 3.97 2.46 -0.12 -2.67 115.29 123.48 3kwc s HIS 107 Ca -0.01 -1.71 -0.22 0.00 0.47 0.00 0.00 55.06 53.59 3kwc s HIS 107 Cb -0.18 -1.75 -0.05 0.00 -0.13 0.00 0.00 32.58 30.47 3kwc s HIS 107 CO 0.01 -0.78 1.38 0.20 -2.47 0.00 0.00 174.74 173.08 3kwc s GLY 108 N 1.33 2.90 0.08 1.59 0.00 -0.08 -2.84 107.32 110.29 3kwc s GLY 108 Ca -0.01 1.37 -0.31 0.00 0.00 0.00 0.00 44.72 45.78 3kwc s GLY 108 CO -0.09 1.91 1.30 -4.14 0.00 0.00 0.00 173.10 172.08 3kwc s PRO 109 N -2.82 4.37 -0.16 2.90 0.02 -1.26 -1.76 135.00 136.30 3kwc s PRO 109 Ca 0.69 1.91 -0.13 0.00 0.02 0.00 0.00 61.00 63.49 3kwc s PRO 109 Cb -0.41 -3.33 0.04 0.00 0.02 0.00 0.00 34.50 30.82 3kwc s PRO 109 CO 0.50 -0.37 0.41 0.00 -0.33 0.00 0.00 177.00 177.21 3kwc s ALA 110 N 1.23 -1.02 -0.11 -1.55 0.00 -0.62 -1.43 121.76 118.26 3kwc s ALA 110 Ca 0.62 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.81 3kwc s ALA 110 Cb -0.33 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.09 3kwc s ALA 110 CO 0.29 -0.21 -0.09 -0.47 0.00 0.00 0.00 175.76 175.28 3kwc s TYR 111 N 0.44 1.54 -0.16 0.00 5.04 -0.98 -1.74 117.35 121.49 3kwc s TYR 111 Ca -0.02 -0.75 0.01 0.00 -2.44 0.00 0.00 57.07 53.88 3kwc s TYR 111 Cb -0.04 -1.24 0.02 0.00 0.35 0.00 0.00 41.96 41.05 3kwc s TYR 111 CO -0.02 -0.49 -0.19 0.42 -1.34 0.00 0.00 175.55 173.93 3kwc s ILE 112 N 1.52 1.95 0.75 3.14 1.01 0.43 -0.86 121.20 129.15 3kwc s ILE 112 Ca 0.02 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.66 3kwc s ILE 112 Cb -0.13 -1.76 0.04 0.00 0.01 0.00 0.00 42.46 40.62 3kwc s ILE 112 CO -0.07 0.53 1.13 -0.83 0.00 0.00 0.00 174.94 175.70 3kwc s GLY 113 N 1.15 1.61 0.34 6.18 0.00 -0.64 -1.38 107.32 114.58 3kwc s GLY 113 Ca 0.01 -0.46 -0.27 0.00 0.00 0.00 0.00 44.72 44.00 3kwc s GLY 113 CO -0.09 -0.04 1.05 1.22 0.00 0.00 0.00 173.10 175.25 3kwc n ASP 114 N -3.15 1.52 0.00 1.64 10.43 -1.26 -3.08 116.55 122.65 3kwc n ASP 114 Ca 0.07 1.14 0.00 0.00 2.57 0.00 0.00 54.79 58.57 3kwc n ASP 114 Cb 0.59 -1.34 0.00 0.00 1.84 0.00 0.00 41.12 42.20 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 1.13 0.82 3.77 0.44 0.00 -0.40 -1.41 105.19 109.54 3kwc n GLY 115 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.65 2.95 -0.31 0.00 5.36 -0.61 -1.79 117.98 121.93 3kwc s PHE 117 Ca 0.68 -0.79 -0.06 0.00 -0.96 0.00 0.00 56.93 55.81 3kwc s PHE 117 Cb -0.27 -2.06 0.03 0.00 -0.34 0.00 0.00 43.02 40.39 3kwc s PHE 117 CO 0.31 -0.43 0.07 0.42 -1.46 0.00 0.00 175.22 174.13 3kwc s ILE 118 N 1.18 3.65 1.00 3.12 -1.09 -0.05 -0.89 121.20 128.13 3kwc s ILE 118 Ca 0.02 -1.04 -0.17 0.00 -2.23 0.00 0.00 60.65 57.24 3kwc s ILE 118 Cb -0.14 -3.01 0.24 0.00 -1.58 0.00 0.00 42.46 37.97 3kwc s ILE 118 CO -0.01 -0.07 1.16 0.61 -1.23 0.00 0.00 174.94 175.40 3kwc n GLY 119 N 4.79 -1.96 3.70 6.18 0.00 0.23 -1.76 105.19 116.38 3kwc n GLY 119 Ca -0.13 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 3kwc n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kwc n PHE 120 N -4.08 2.69 -1.82 1.61 0.99 -1.26 -2.63 117.46 112.96 3kwc n PHE 120 Ca 0.15 -0.09 -0.13 0.00 -0.00 0.00 0.00 57.45 57.38 3kwc n PHE 120 Cb 0.54 -2.72 -0.03 0.00 -1.00 0.00 0.00 39.48 36.27 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 5.03 -0.99 -3.96 -1.08 0.63 -0.27 -0.83 116.66 115.19 3kwc n ARG 121 Ca 0.17 0.80 -0.32 0.00 -0.92 0.00 0.00 57.85 57.59 3kwc n ARG 121 Cb 0.37 -4.95 -0.05 0.00 0.45 0.00 0.00 32.46 28.28 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 -2.63 6.14 -0.05 6.15 0.01 -1.08 -4.26 113.70 117.99 3kwc s SER 122 Ca 0.00 0.22 0.06 0.00 1.31 0.00 0.00 55.95 57.55 3kwc s SER 122 Cb 0.00 -1.85 -0.01 0.00 0.21 0.00 0.00 66.02 64.37 3kwc s SER 122 CO 0.00 0.20 -0.25 -0.89 0.41 0.00 0.00 173.24 172.71 3kwc s THR 123 N -1.42 2.09 -0.21 1.44 2.01 -0.15 -1.71 115.64 117.70 3kwc s THR 123 Ca 0.31 -1.06 0.01 0.00 0.31 0.00 0.00 61.69 61.26 3kwc s THR 123 Cb -0.13 -1.75 0.04 0.00 0.01 0.00 0.00 72.50 70.68 3kwc s THR 123 CO 0.24 0.57 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.92 3kwc s VAL 124 N -0.28 1.90 -0.03 3.82 1.01 -0.75 -0.96 120.40 125.12 3kwc s VAL 124 Ca -0.00 -1.16 -0.00 0.00 0.00 0.00 0.00 61.98 60.82 3kwc s VAL 124 Cb -0.13 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.37 3kwc s VAL 124 CO 0.03 0.21 0.03 0.12 0.00 0.00 0.00 175.10 175.49 3kwc s PHE 125 N 1.29 0.07 -1.30 5.22 5.36 -0.47 -0.95 117.98 127.20 3kwc s PHE 125 Ca -0.02 0.14 -0.02 0.00 -0.96 0.00 0.00 56.93 56.07 3kwc s PHE 125 Cb -0.16 -0.31 -0.00 0.00 -0.34 0.00 0.00 43.02 42.20 3kwc s PHE 125 CO -0.09 -0.12 0.67 -1.71 -1.46 0.00 0.00 175.22 172.52 3kwc n ASN 126 N 4.42 -1.64 -3.69 6.13 5.15 -0.51 -2.50 115.26 122.62 3kwc n ASN 126 Ca -0.23 -0.87 -0.10 0.00 -0.60 0.00 0.00 54.58 52.79 3kwc n ASN 126 Cb 0.50 -3.87 -0.05 0.00 -0.53 0.00 0.00 39.78 35.84 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 -3.69 -0.82 -0.12 5.20 0.00 -0.79 -1.61 121.76 119.93 3kwc s ALA 127 Ca 0.07 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 51.88 3kwc s ALA 127 Cb -0.02 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.83 3kwc s ALA 127 CO 0.83 -0.66 -0.20 0.50 0.00 0.00 0.00 175.76 176.23 3kwc s ARG 128 N -3.83 2.67 -0.25 0.00 3.52 -0.76 -2.31 118.95 117.99 3kwc s ARG 128 Ca 0.05 -0.73 -0.03 0.00 -0.13 0.00 0.00 55.73 54.89 3kwc s ARG 128 Cb 0.02 -2.15 0.02 0.00 -1.56 0.00 0.00 34.95 31.27 3kwc s ARG 128 CO -0.10 0.02 -0.04 0.08 -0.81 0.00 0.00 175.30 174.45 3kwc s VAL 129 N 0.75 3.12 0.82 7.11 1.01 -0.04 -0.42 120.40 132.76 3kwc s VAL 129 Ca -0.10 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 3kwc s VAL 129 Cb -0.16 -2.55 0.09 0.00 0.00 0.00 0.00 36.38 33.76 3kwc s VAL 129 CO 0.01 0.23 1.11 -0.83 0.00 0.00 0.00 175.10 175.63 3kwc s GLY 130 N 1.38 1.69 0.27 4.51 0.00 -0.28 -1.63 107.32 113.27 3kwc s GLY 130 Ca 0.02 0.40 -0.29 0.00 0.00 0.00 0.00 44.72 44.85 3kwc s GLY 130 CO -0.03 0.77 1.05 0.00 0.00 0.00 0.00 173.10 174.89 3kwc n ALA 131 N -3.77 -0.25 -1.03 3.20 0.00 -1.26 -3.23 120.51 114.17 3kwc n ALA 131 Ca 0.10 0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.93 3kwc n ALA 131 Cb 0.53 -2.03 -0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 1.38 0.49 3.77 0.00 0.00 -0.50 -0.95 105.19 109.38 3kwc n GLY 132 Ca 0.10 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.52 2.16 -0.24 0.00 1.01 -0.68 -1.57 120.40 119.55 3kwc s VAL 134 Ca 0.61 -2.04 -0.13 0.00 0.00 0.00 0.00 61.98 60.43 3kwc s VAL 134 Cb -0.28 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 3kwc s VAL 134 CO 0.35 -0.40 0.26 -0.69 0.00 0.00 0.00 175.10 174.62 3kwc s VAL 135 N 1.01 5.28 0.00 2.92 1.01 -0.06 -1.83 120.40 128.74 3kwc s VAL 135 Ca 0.04 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.39 3kwc s VAL 135 Cb -0.19 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3kwc s VAL 135 CO -0.08 0.28 0.00 0.23 0.00 0.00 0.00 175.10 175.53 3kwc n MET 136 N 4.62 3.56 -3.83 2.72 2.81 -0.59 -0.60 117.12 125.80 3kwc n MET 136 Ca -0.12 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.43 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 1.39 3.51 -1.41 0.03 -1.94 -1.26 -3.27 119.30 116.34 3kwc s MET 137 Ca 0.00 -0.21 -0.10 0.00 -1.71 0.00 0.00 55.69 53.68 3kwc s MET 137 Cb 0.00 -3.08 0.04 0.00 2.01 0.00 0.00 34.83 33.80 3kwc s MET 137 CO 0.00 0.65 1.06 0.72 -0.01 0.00 0.00 175.02 177.45 3kwc n HIS 138 N 0.98 -2.55 -3.86 -0.03 -0.00 -0.01 -0.94 115.22 108.80 3kwc n HIS 138 Ca -0.11 0.96 -0.36 0.00 -0.00 0.00 0.00 57.72 58.21 3kwc n HIS 138 Cb 0.53 -4.59 -0.06 0.00 -0.00 0.00 0.00 29.99 25.87 3kwc n HIS 138 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3kwc s VAL 139 N -3.34 5.45 -0.20 1.59 1.01 -1.26 -3.36 120.40 120.29 3kwc s VAL 139 Ca 0.54 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.62 3kwc s VAL 139 Cb -0.25 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 3kwc s VAL 139 CO 0.78 0.51 -0.08 -0.22 0.00 0.00 0.00 175.10 176.08 3kwc s LEU 140 N -1.36 2.77 -0.17 3.92 2.96 -0.47 -0.97 118.68 125.35 3kwc s LEU 140 Ca 0.20 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 3kwc s LEU 140 Cb -0.12 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 44.90 3kwc s LEU 140 CO 0.10 0.02 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.34 3kwc s ILE 141 N 1.21 2.28 -0.20 6.68 1.01 -0.13 0.64 121.20 132.69 3kwc s ILE 141 Ca 0.02 -0.88 -0.17 0.00 0.00 0.00 0.00 60.65 59.62 3kwc s ILE 141 Cb -0.14 -1.96 0.05 0.00 0.01 0.00 0.00 42.46 40.42 3kwc s ILE 141 CO -0.03 0.53 0.52 -1.58 0.00 0.00 0.00 174.94 174.38 3kwc s GLN 142 N 1.12 0.59 -1.37 2.79 0.74 -0.68 -1.37 119.66 121.50 3kwc s GLN 142 Ca 0.01 0.76 0.00 0.00 0.05 0.00 0.00 55.36 56.17 3kwc s GLN 142 Cb -0.14 0.26 0.00 0.00 1.10 0.00 0.00 33.01 34.23 3kwc s GLN 142 CO -0.07 -0.08 0.00 -0.25 -0.55 0.00 0.00 175.29 174.33 3kwc n ASP 143 N 3.01 -4.69 -4.21 6.67 10.43 -0.63 -4.28 116.55 122.85 3kwc n ASP 143 Ca -0.15 0.04 -0.12 0.00 2.57 0.00 0.00 54.79 57.13 3kwc n ASP 143 Cb 0.56 -3.79 -0.10 0.00 1.84 0.00 0.00 41.12 39.64 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 -2.75 0.13 -0.19 2.53 -7.23 -1.24 -4.72 120.40 106.94 3kwc s VAL 144 Ca 0.00 -1.98 -0.00 0.00 -1.81 0.00 0.00 61.98 58.18 3kwc s VAL 144 Cb 0.00 -2.42 0.01 0.00 0.56 0.00 0.00 36.38 34.53 3kwc s VAL 144 CO 0.00 -0.10 -0.15 -0.70 -0.31 0.00 0.00 175.10 173.84 3kwc s GLU 145 N -4.11 3.14 -0.24 4.82 2.12 -1.26 -1.83 118.70 121.34 3kwc s GLU 145 Ca 0.36 -0.76 -0.17 0.00 0.36 0.00 0.00 54.97 54.76 3kwc s GLU 145 Cb 0.07 -2.70 -0.03 0.00 0.26 0.00 0.00 34.13 31.73 3kwc s GLU 145 CO 0.10 -0.16 0.47 0.42 -0.54 0.00 0.00 175.26 175.55 3kwc s ILE 146 N 1.25 5.12 0.80 -3.70 -1.09 0.44 -4.79 121.20 119.23 3kwc s ILE 146 Ca 0.03 0.81 -0.12 0.00 -2.23 0.00 0.00 60.65 59.15 3kwc s ILE 146 Cb -0.14 -3.79 0.08 0.00 -1.58 0.00 0.00 42.46 37.03 3kwc s ILE 146 CO -0.08 0.15 1.14 -2.84 -1.23 0.00 0.00 174.94 172.08 3kwc s PRO 147 N 1.93 1.82 0.52 2.79 0.02 -1.26 -1.12 135.00 139.70 3kwc s PRO 147 Ca 0.20 1.47 -0.21 0.00 0.02 0.00 0.00 61.00 62.48 3kwc s PRO 147 Cb -0.15 -1.82 -0.07 0.00 0.02 0.00 0.00 34.50 32.47 3kwc s PRO 147 CO 0.09 -2.02 0.99 -2.30 -0.33 0.00 0.00 177.00 173.43 3kwc n PRO 148 N -3.50 1.13 -2.30 5.54 -0.02 -1.26 -3.69 135.00 130.90 3kwc n PRO 148 Ca 0.11 0.42 -0.14 0.00 -2.02 0.00 0.00 63.50 61.87 3kwc n PRO 148 Cb 0.52 -2.12 -0.01 0.00 -0.02 0.00 0.00 33.50 31.87 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 1.23 -0.22 3.86 -1.23 0.00 -0.13 -4.91 105.19 103.80 3kwc n GLY 149 Ca 0.11 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.75 3.21 -0.14 1.61 -0.14 -1.24 -1.37 119.74 116.91 3kwc s LYS 150 Ca 0.01 -0.55 -0.04 0.00 -1.36 0.00 0.00 55.97 54.03 3kwc s LYS 150 Cb -0.00 -2.90 -0.03 0.00 -1.68 0.00 0.00 37.83 33.21 3kwc s LYS 150 CO 0.01 0.59 -0.01 -0.47 -0.76 0.00 0.00 175.35 174.71 3kwc s TYR 151 N -1.48 3.09 -0.28 3.18 5.04 0.11 -1.69 117.35 125.33 3kwc s TYR 151 Ca 0.33 -0.11 -0.02 0.00 -2.44 0.00 0.00 57.07 54.83 3kwc s TYR 151 Cb -0.13 -1.94 0.04 0.00 0.35 0.00 0.00 41.96 40.28 3kwc s TYR 151 CO 0.26 0.12 -0.03 0.08 -1.34 0.00 0.00 175.55 174.64 3kwc s VAL 152 N 0.07 2.98 0.86 3.14 1.01 -0.76 -4.09 120.40 123.61 3kwc s VAL 152 Ca 0.01 -1.19 -0.12 0.00 0.00 0.00 0.00 61.98 60.69 3kwc s VAL 152 Cb -0.13 -2.61 0.11 0.00 0.00 0.00 0.00 36.38 33.75 3kwc s VAL 152 CO 0.02 0.04 1.18 -2.65 0.00 0.00 0.00 175.10 173.70 3kwc n PRO 153 N 4.65 -0.11 -2.06 2.72 -0.02 -1.26 -1.55 135.00 137.38 3kwc n PRO 153 Ca -0.15 0.05 -0.39 0.00 -2.02 0.00 0.00 63.50 60.99 3kwc n PRO 153 Cb 0.45 -2.41 -0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3kwc n PRO 153 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3kwc s SER 154 N -2.35 6.23 0.00 2.55 0.01 -1.26 -3.37 113.70 115.51 3kwc s SER 154 Ca 0.71 2.62 0.00 0.00 1.31 0.00 0.00 55.95 60.59 3kwc s SER 154 Cb -0.26 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.33 3kwc s SER 154 CO 0.54 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.90 3kwc n GLY 155 N 0.65 1.35 3.74 3.44 0.00 -0.12 -4.93 105.19 109.32 3kwc n GLY 155 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.48 4.43 -0.44 1.61 1.00 -1.22 -4.86 119.30 119.35 3kwc s MET 156 Ca 0.00 1.99 -0.05 0.00 0.00 0.00 0.00 55.69 57.64 3kwc s MET 156 Cb 0.00 -3.20 0.12 0.00 0.00 0.00 0.00 34.83 31.74 3kwc s MET 156 CO 0.00 -0.18 0.26 0.08 0.00 0.00 0.00 175.02 175.18 3kwc s VAL 157 N -0.07 3.57 -0.42 -6.03 1.01 -1.26 -1.36 120.40 115.83 3kwc s VAL 157 Ca 0.54 -2.03 -0.16 0.00 0.00 0.00 0.00 61.98 60.33 3kwc s VAL 157 Cb -0.35 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.65 3kwc s VAL 157 CO 0.39 -0.73 0.35 -0.63 0.00 0.00 0.00 175.10 174.48 3kwc s ILE 158 N 1.13 5.22 0.00 2.22 1.01 0.21 -4.88 121.20 126.11 3kwc s ILE 158 Ca 0.08 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.06 3kwc s ILE 158 Cb -0.24 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.24 3kwc s ILE 158 CO -0.03 -0.39 0.21 0.35 0.00 0.00 0.00 174.94 175.08 3kwc n THR 159 N 5.23 0.00 -4.21 2.92 -2.24 -1.26 -1.68 114.28 113.04 3kwc n THR 159 Ca -0.10 -0.36 -0.20 0.00 -2.27 0.00 0.00 64.05 61.11 3kwc n THR 159 Cb 0.46 1.16 -0.12 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.31 1.28 0.27 4.28 -4.23 -1.26 -4.81 115.64 110.86 3kwc s THR 160 Ca 0.00 -1.37 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 3kwc s THR 160 Cb 0.00 -1.21 0.07 0.00 1.34 0.00 0.00 72.50 72.71 3kwc s THR 160 CO 0.00 -0.18 1.72 -0.61 -0.54 0.00 0.00 174.62 175.02 3kwc h GLN 161 N 4.24 0.56 -0.90 3.99 5.75 -1.93 -2.58 115.11 124.24 3kwc h GLN 161 Ca -0.42 -0.20 0.25 0.00 -0.15 0.00 0.00 58.65 58.13 3kwc h GLN 161 Cb 1.19 -0.04 -0.14 0.00 1.07 0.00 0.00 27.48 29.56 3kwc h GLN 161 CO 0.40 0.73 0.33 1.96 -2.65 0.00 0.00 178.83 179.60 3kwc h GLN 162 N 0.50 0.26 -0.16 1.69 7.50 -1.99 -0.00 115.11 122.91 3kwc h GLN 162 Ca 0.08 -0.02 -0.12 0.00 0.50 0.00 0.00 58.65 59.10 3kwc h GLN 162 Cb 0.63 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.10 3kwc h GLN 162 CO 0.04 0.17 -0.36 1.96 -1.50 0.00 0.00 178.83 179.15 3kwc h GLN 163 N 0.27 0.52 0.00 1.46 4.20 -1.89 -3.28 115.11 116.39 3kwc h GLN 163 Ca 0.58 -0.35 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 3kwc h GLN 163 Cb 1.20 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.02 3kwc h GLN 163 CO -0.62 0.96 -0.11 0.00 -0.67 0.00 0.00 178.83 178.40 3kwc h ALA 164 N 0.56 1.67 -0.00 3.87 0.00 -1.04 -2.62 119.26 121.70 3kwc h ALA 164 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kwc h ALA 164 Cb 0.96 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3kwc h ALA 164 CO 0.08 0.13 -0.03 -0.25 0.00 0.00 0.00 179.25 179.18 3kwc n ASP 165 N -4.20 0.06 -2.15 0.00 8.00 -0.11 -4.05 116.55 114.10 3kwc n ASP 165 Ca -0.03 0.19 -0.25 0.00 0.71 0.00 0.00 54.79 55.41 3kwc n ASP 165 Cb 0.19 -0.36 0.02 0.00 -0.02 0.00 0.00 41.12 40.94 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 -1.40 3.56 -3.91 -1.24 5.12 -0.99 -5.06 116.66 112.75 3kwc n ARG 166 Ca 0.10 -4.25 -0.30 0.00 -1.93 0.00 0.00 57.85 51.46 3kwc n ARG 166 Cb 0.30 -2.27 -0.04 0.00 -1.16 0.00 0.00 32.46 29.29 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 -3.59 4.35 0.62 0.55 1.43 -1.26 -5.07 118.68 115.72 3kwc s LEU 167 Ca 0.50 0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 53.74 3kwc s LEU 167 Cb 0.41 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 3kwc s LEU 167 CO -0.02 0.15 1.03 -2.16 0.23 0.00 0.00 176.35 175.58 3kwc s PRO 168 N -2.61 3.43 0.46 1.29 0.04 -1.26 -4.88 135.00 131.47 3kwc s PRO 168 Ca 0.35 0.92 -0.21 0.00 0.04 0.00 0.00 61.00 62.10 3kwc s PRO 168 Cb -0.13 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 3kwc s PRO 168 CO 0.28 -0.70 1.01 -0.80 0.04 0.00 0.00 177.00 176.83 3kwc s ASN 169 N -3.63 6.54 0.59 6.66 0.01 -1.26 -0.71 114.94 123.14 3kwc s ASN 169 Ca 0.58 1.87 -0.20 0.00 -0.71 0.00 0.00 52.86 54.40 3kwc s ASN 169 Cb -0.12 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 38.95 3kwc s ASN 169 CO 0.47 -0.64 1.33 0.68 -1.51 0.00 0.00 177.10 177.43 3kwc s VAL 170 N -2.00 2.06 0.37 1.60 -7.23 -0.47 -4.62 120.40 110.10 3kwc s VAL 170 Ca 0.65 0.04 0.04 0.00 -1.81 0.00 0.00 61.98 60.90 3kwc s VAL 170 Cb -0.15 -3.02 -0.01 0.00 0.56 0.00 0.00 36.38 33.77 3kwc s VAL 170 CO 0.19 -0.00 0.54 -1.61 -0.31 0.00 0.00 175.10 173.91 3kwc s GLU 171 N -3.12 3.12 0.26 4.82 0.41 -1.26 -5.01 118.70 117.93 3kwc s GLU 171 Ca 0.77 -0.77 -0.02 0.00 -0.41 0.00 0.00 54.97 54.53 3kwc s GLU 171 Cb -0.39 -2.72 0.45 0.00 -1.78 0.00 0.00 34.13 29.69 3kwc s GLU 171 CO 0.44 -0.04 1.83 1.49 -0.49 0.00 0.00 175.26 178.48 3kwc h GLU 172 N 0.71 0.88 -0.49 1.61 4.22 -2.00 -1.78 114.58 117.73 3kwc h GLU 172 Ca -0.46 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.92 3kwc h GLU 172 Cb 1.25 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 3kwc h GLU 172 CO 0.55 0.58 0.30 0.66 -2.18 0.00 0.00 179.01 178.92 3kwc h SER 173 N 0.90 0.57 -0.39 1.04 4.64 -1.99 -1.88 113.55 116.44 3kwc h SER 173 Ca 0.43 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.62 3kwc h SER 173 Cb 0.38 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3kwc h SER 173 CO -0.24 0.43 -0.19 0.44 -0.87 0.00 0.00 176.83 176.39 3kwc h ASP 174 N 0.67 0.84 -0.14 4.97 3.32 -1.72 -1.82 116.42 122.53 3kwc h ASP 174 Ca 0.18 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 3kwc h ASP 174 Cb -0.04 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 3kwc h ASP 174 CO -0.04 1.06 0.03 0.40 -1.72 0.00 0.00 179.24 178.98 3kwc h ILE 175 N 0.62 1.20 -0.61 0.35 1.08 -1.12 -1.81 117.51 117.22 3kwc h ILE 175 Ca 0.09 -0.63 -0.04 0.00 -0.39 0.00 0.00 64.86 63.88 3kwc h ILE 175 Cb 0.75 1.36 -0.03 0.00 -3.07 0.00 0.00 36.82 35.83 3kwc h ILE 175 CO 0.06 0.19 0.21 -0.74 -0.69 0.00 0.00 178.15 177.18 3kwc h HIS 176 N 0.03 0.92 -0.18 1.37 2.76 -1.40 -1.83 115.15 116.81 3kwc h HIS 176 Ca 0.04 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 3kwc h HIS 176 Cb 0.26 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 3kwc h HIS 176 CO 0.01 0.73 0.12 0.35 -1.30 0.00 0.00 177.93 177.84 3kwc h PHE 177 N 0.89 0.22 -0.57 5.26 3.57 -1.19 -2.62 116.94 122.50 3kwc h PHE 177 Ca 0.20 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 3kwc h PHE 177 Cb 0.22 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 3kwc h PHE 177 CO 0.02 0.14 0.09 0.00 -2.23 0.00 0.00 178.31 176.32 3kwc h ALA 178 N 1.07 0.75 -0.84 2.41 0.00 -1.12 -2.81 119.26 118.72 3kwc h ALA 178 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kwc h ALA 178 Cb -0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3kwc h ALA 178 CO -0.02 0.51 0.54 0.37 0.00 0.00 0.00 179.25 180.64 3kwc h GLN 179 N 0.84 1.12 -0.59 0.00 -0.00 -1.33 -2.58 115.11 112.58 3kwc h GLN 179 Ca 0.17 -0.08 -0.08 0.00 -0.00 0.00 0.00 58.65 58.66 3kwc h GLN 179 Cb 0.42 -0.25 -0.02 0.00 0.00 0.00 0.00 27.48 27.63 3kwc h GLN 179 CO 0.01 0.76 0.05 1.25 0.00 0.00 0.00 178.83 180.91 3kwc h HIS 180 N 1.15 1.07 -0.73 3.99 2.76 -1.22 -1.72 115.15 120.45 3kwc h HIS 180 Ca 0.31 -0.17 -0.04 0.00 -2.20 0.00 0.00 60.37 58.27 3kwc h HIS 180 Cb -0.10 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.54 3kwc h HIS 180 CO 0.00 0.94 0.30 0.28 -1.30 0.00 0.00 177.93 178.15 3kwc h VAL 181 N 0.89 1.25 -0.69 5.26 2.07 -1.27 0.12 116.25 123.87 3kwc h VAL 181 Ca 0.17 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 3kwc h VAL 181 Cb 0.48 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3kwc h VAL 181 CO 0.02 0.31 0.36 0.58 0.02 0.00 0.00 177.57 178.87 3kwc h VAL 182 N 1.04 1.22 -0.31 2.57 2.07 -1.27 -2.56 116.25 119.01 3kwc h VAL 182 Ca 0.24 -0.57 -0.17 0.00 0.82 0.00 0.00 66.70 67.03 3kwc h VAL 182 Cb 0.20 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3kwc h VAL 182 CO -0.02 0.25 -0.47 1.23 0.02 0.00 0.00 177.57 178.57 3kwc h GLY 183 N 0.95 0.91 0.53 2.17 0.00 -0.92 -2.57 103.07 104.15 3kwc h GLY 183 Ca 0.24 -1.00 0.08 0.00 0.00 0.00 0.00 47.33 46.65 3kwc h GLY 183 CO -0.04 0.90 0.28 -2.22 0.00 0.00 0.00 176.54 175.46 3kwc h ILE 184 N 0.66 0.86 0.00 2.60 1.08 -0.66 -2.76 117.51 119.30 3kwc h ILE 184 Ca 0.04 -0.18 -0.12 0.00 -0.39 0.00 0.00 64.86 64.21 3kwc h ILE 184 Cb 1.06 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 35.09 3kwc h ILE 184 CO 0.11 0.09 -0.56 0.78 -0.69 0.00 0.00 178.15 177.88 3kwc h ASN 185 N 0.51 0.00 -0.42 1.72 2.35 -1.38 -1.71 115.58 116.65 3kwc h ASN 185 Ca 0.29 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.98 3kwc h ASN 185 Cb 0.29 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3kwc h ASN 185 CO -0.24 0.56 0.05 -0.33 -1.65 0.00 0.00 177.43 175.82 3kwc h GLU 186 N 0.00 0.79 0.04 0.81 5.08 -1.29 -2.35 114.58 117.65 3kwc h GLU 186 Ca -0.01 -0.19 -0.24 0.00 -1.00 0.00 0.00 59.36 57.93 3kwc h GLU 186 Cb 1.26 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3kwc h GLU 186 CO 0.07 0.76 -1.02 0.00 -1.00 0.00 0.00 179.01 177.83 3kwc h ALA 187 N 1.31 0.31 -0.15 3.43 0.00 -1.25 -2.99 119.26 119.92 3kwc h ALA 187 Ca 0.15 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3kwc h ALA 187 Cb 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3kwc h ALA 187 CO 0.01 0.88 0.09 -0.07 0.00 0.00 0.00 179.25 180.16 3kwc h LEU 188 N 0.17 0.16 -1.00 0.00 3.38 -1.29 -2.65 115.31 114.08 3kwc h LEU 188 Ca -0.09 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 3kwc h LEU 188 Cb 1.68 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.38 3kwc h LEU 188 CO 0.17 0.12 -0.09 0.17 0.09 0.00 0.00 178.44 178.90 3kwc h LEU 189 N 0.20 0.60 -0.47 1.67 8.10 -1.46 -1.21 115.31 122.74 3kwc h LEU 189 Ca 0.06 -0.16 -0.03 0.00 0.11 0.00 0.00 57.88 57.86 3kwc h LEU 189 Cb -0.01 -0.16 -0.02 0.00 -0.44 0.00 0.00 40.66 40.02 3kwc h LEU 189 CO -0.02 0.73 0.19 -1.28 -4.11 0.00 0.00 178.44 173.95 3kwc h SER 190 N 0.58 0.65 -0.63 0.17 0.87 -1.52 -2.23 113.55 111.44 3kwc h SER 190 Ca 0.11 -0.17 0.09 0.00 -1.23 0.00 0.00 61.79 60.58 3kwc h SER 190 Cb 0.50 -0.17 -0.07 0.00 -0.44 0.00 0.00 62.40 62.22 3kwc h SER 190 CO 0.03 0.64 0.28 1.23 -0.53 0.00 0.00 176.83 178.48 3kwc h GLY 191 N 0.62 0.91 1.44 5.77 0.00 -1.01 -2.04 103.07 108.76 3kwc h GLY 191 Ca 0.16 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 3kwc h GLY 191 CO -0.01 0.03 -0.26 -0.97 0.00 0.00 0.00 176.54 175.32 3kwc h TYR 192 N 0.49 0.73 -0.39 5.60 0.05 -1.10 -1.69 116.97 120.65 3kwc h TYR 192 Ca 0.31 -0.17 -0.07 0.00 0.05 0.00 0.00 58.73 58.85 3kwc h TYR 192 Cb 0.34 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 3kwc h TYR 192 CO -0.14 0.84 -0.06 1.96 -1.05 0.00 0.00 178.16 179.71 3kwc h GLN 193 N 0.56 0.66 -0.22 4.88 4.20 -1.23 -2.82 115.11 121.14 3kwc h GLN 193 Ca 0.07 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 3kwc h GLN 193 Cb 0.74 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 3kwc h GLN 193 CO 0.06 0.72 -0.00 0.00 -0.67 0.00 0.00 178.83 178.94 3kwc h ALA 195 N 0.79 2.72 -0.02 0.00 0.00 -1.17 0.06 119.26 121.65 3kwc h ALA 195 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kwc h ALA 195 Cb 0.40 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3kwc h ALA 195 CO 0.01 -0.94 -0.01 0.39 0.00 0.00 0.00 179.25 178.70 3kwc n GLU 196 N -4.30 1.85 -3.76 0.00 1.02 -1.08 -4.76 120.64 109.61 3kwc n GLU 196 Ca 0.15 -1.25 -0.38 0.00 -0.02 0.00 0.00 57.16 55.67 3kwc n GLU 196 Cb 0.83 -1.47 -0.12 0.00 -0.02 0.00 0.00 31.44 30.65 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 -2.01 5.26 0.26 1.62 3.84 0.01 -5.00 114.94 118.91 3kwc s ASN 197 Ca 0.35 -1.08 -0.02 0.00 0.21 0.00 0.00 52.86 52.32 3kwc s ASN 197 Cb 0.21 -1.86 0.47 0.00 -0.55 0.00 0.00 41.25 39.51 3kwc s ASN 197 CO 0.33 -0.30 1.81 -0.29 -2.79 0.00 0.00 177.10 175.85 3kwc h ILE 198 N 6.14 0.88 0.00 -5.21 6.09 -1.86 0.29 117.51 123.83 3kwc h ILE 198 Ca -0.24 -0.28 0.00 0.00 -1.37 0.00 0.00 64.86 62.97 3kwc h ILE 198 Cb 1.09 -0.01 0.00 0.00 0.47 0.00 0.00 36.82 38.37 3kwc h ILE 198 CO 0.60 0.15 0.00 0.00 -3.07 0.00 0.00 178.15 175.83 3kwc h ALA 199 N 1.50 1.00 0.00 0.18 0.00 -1.94 -2.51 119.26 117.48 3kwc h ALA 199 Ca 0.44 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.23 3kwc h ALA 199 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3kwc h ALA 199 CO -0.28 0.00 -0.67 0.00 0.00 0.00 0.00 179.25 178.30 3kwc h ILE 201 N -1.00 1.35 -0.45 0.00 6.09 -0.55 -3.36 117.51 119.58 3kwc h ILE 201 Ca -0.17 -2.13 0.08 0.00 -1.37 0.00 0.00 64.86 61.26 3kwc h ILE 201 Cb 1.05 2.45 -0.07 0.00 0.47 0.00 0.00 36.82 40.72 3kwc h ILE 201 CO -0.11 0.64 0.04 0.00 -3.07 0.00 0.00 178.15 175.66 3kwc h ALA 202 N 0.37 0.46 -0.27 0.18 0.00 -1.66 -1.31 119.26 117.03 3kwc h ALA 202 Ca -0.10 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3kwc h ALA 202 Cb 1.48 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 3kwc h ALA 202 CO 0.16 -0.36 0.09 -1.35 0.00 0.00 0.00 179.25 177.79 3kwc h PRO 203 N 0.16 0.38 -0.47 0.00 0.11 -1.82 -2.56 132.00 127.79 3kwc h PRO 203 Ca 0.23 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.19 3kwc h PRO 203 Cb 0.32 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.34 3kwc h PRO 203 CO -0.34 0.34 -0.10 0.82 -0.21 0.00 0.00 178.00 178.51 3kwc h ILE 204 N 0.38 1.26 -0.07 4.15 2.04 -1.40 -2.92 117.51 120.94 3kwc h ILE 204 Ca 0.09 -1.20 -0.07 0.00 1.00 0.00 0.00 64.86 64.69 3kwc h ILE 204 Cb 0.12 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3kwc h ILE 204 CO -0.01 0.41 -0.27 -0.09 0.00 0.00 0.00 178.15 178.20 3kwc h ARG 205 N 0.78 0.13 -0.20 2.37 2.43 -1.05 -3.06 114.38 115.78 3kwc h ARG 205 Ca 0.13 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3kwc h ARG 205 Cb 0.61 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 3kwc h ARG 205 CO 0.04 0.39 0.07 -0.91 -1.51 0.00 0.00 179.97 178.05 3kwc h ASN 206 N 0.12 0.28 0.00 -3.80 2.35 -1.30 -3.52 115.58 109.71 3kwc h ASN 206 Ca 0.02 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3kwc h ASN 206 Cb 0.54 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.84 3kwc h ASN 206 CO 0.04 0.40 0.00 1.21 -1.65 0.00 0.00 177.43 177.43