#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwc h LYS 2 N 0.00 -0.11 -3.93 0.03 6.56 -2.07 -3.38 116.57 113.67 2kwc h LYS 2 Ca 0.00 0.01 -0.59 0.00 -1.06 0.00 0.00 60.65 59.00 2kwc h LYS 2 Cb 0.00 0.02 -0.40 0.00 -0.57 0.00 0.00 32.23 31.29 2kwc h LYS 2 CO 0.00 -0.07 -0.76 -1.12 -2.06 0.00 0.00 179.45 175.44 2kwc s SER 3 N -3.11 3.97 0.29 0.86 0.01 -1.26 -4.99 113.70 109.48 2kwc s SER 3 Ca -0.03 -1.51 -0.00 0.00 1.31 0.00 0.00 55.95 55.72 2kwc s SER 3 Cb 0.02 -1.03 0.50 0.00 0.21 0.00 0.00 66.02 65.71 2kwc s SER 3 CO 0.13 -0.35 1.90 0.71 0.41 0.00 0.00 173.24 176.04 2kwc h THR 4 N 6.56 1.07 -1.14 1.44 1.35 -2.01 -1.10 112.91 119.08 2kwc h THR 4 Ca -0.13 -0.37 0.33 0.00 -0.55 0.00 0.00 66.41 65.69 2kwc h THR 4 Cb 1.04 -0.09 -0.05 0.00 -1.73 0.00 0.00 68.15 67.32 2kwc h THR 4 CO 0.45 0.20 1.11 0.15 -0.25 0.00 0.00 175.52 177.17 2kwc h PHE 5 N 1.07 0.00 0.13 4.73 3.04 -1.92 1.18 116.94 125.17 2kwc h PHE 5 Ca 0.40 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.35 2kwc h PHE 5 Cb 0.19 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.69 2kwc h PHE 5 CO -0.00 0.00 -0.11 -0.22 -2.02 0.00 0.00 178.31 175.96 2kwc h LYS 6 N 0.00 -0.22 0.00 1.11 3.64 -1.37 -2.76 116.57 116.97 2kwc h LYS 6 Ca 0.54 0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.71 2kwc h LYS 6 Cb 2.75 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 34.59 2kwc h LYS 6 CO -0.01 -0.15 -1.30 0.43 -2.27 0.00 0.00 179.45 176.15 2kwc n SER 7 N -2.92 1.86 -0.64 4.20 7.64 -0.01 -4.09 113.62 119.66 2kwc n SER 7 Ca -0.03 0.43 0.49 0.00 1.01 0.00 0.00 58.87 60.77 2kwc n SER 7 Cb 0.10 -0.95 0.77 0.00 -1.01 0.00 0.00 64.21 63.12 2kwc n SER 7 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2kwc n GLU 8 N -4.43 -0.01 -3.94 1.43 2.13 0.39 -4.37 120.64 111.84 2kwc n GLU 8 Ca -0.32 1.07 -0.09 0.00 0.66 0.00 0.00 57.16 58.48 2kwc n GLU 8 Cb 0.67 -2.40 -0.09 0.00 0.27 0.00 0.00 31.44 29.89 2kwc n GLU 8 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2kwc s TYR 9 N -4.85 0.23 0.90 4.31 2.02 -1.04 -4.95 117.35 113.97 2kwc s TYR 9 Ca -0.05 -0.58 -0.12 0.00 -0.37 0.00 0.00 57.07 55.95 2kwc s TYR 9 Cb 0.26 -0.16 0.13 0.00 -0.40 0.00 0.00 41.96 41.79 2kwc s TYR 9 CO 0.85 -0.39 1.13 -1.25 -1.57 0.00 0.00 175.55 174.32 2kwc s PRO 10 N -2.91 1.26 0.08 -1.71 0.04 -1.26 -4.26 135.00 126.24 2kwc s PRO 10 Ca -0.02 0.34 -0.13 0.00 0.04 0.00 0.00 61.00 61.23 2kwc s PRO 10 Cb 0.01 -1.85 -0.22 0.00 0.04 0.00 0.00 34.50 32.48 2kwc s PRO 10 CO -0.06 -2.12 1.19 0.35 0.04 0.00 0.00 177.00 176.40 2kwc h PHE 11 N -1.45 0.98 0.00 0.56 3.04 -1.87 -3.07 116.94 115.14 2kwc h PHE 11 Ca -0.50 -0.55 0.00 0.00 3.98 0.00 0.00 57.97 60.90 2kwc h PHE 11 Cb 1.32 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.73 2kwc h PHE 11 CO 0.31 1.38 0.00 0.93 -2.02 0.00 0.00 178.31 178.92 2kwc h GLU 12 N 0.36 0.00 0.01 1.11 5.08 -1.97 -2.57 114.58 116.59 2kwc h GLU 12 Ca -0.13 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2kwc h GLU 12 Cb 1.72 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.97 2kwc h GLU 12 CO 0.20 0.00 -0.00 -0.22 -1.00 0.00 0.00 179.01 177.99 2kwc h LYS 13 N 0.00 -0.01 -0.08 2.33 1.63 -1.92 0.12 116.57 118.64 2kwc h LYS 13 Ca 0.00 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.81 2kwc h LYS 13 Cb 0.23 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 2kwc h LYS 13 CO 0.00 -0.01 0.03 0.07 -3.45 0.00 0.00 179.45 176.10 2kwc h ARG 14 N -0.01 0.08 -1.14 1.90 0.11 -1.70 -0.12 114.38 113.50 2kwc h ARG 14 Ca -0.00 -0.00 0.32 0.00 0.10 0.00 0.00 59.98 60.39 2kwc h ARG 14 Cb 0.01 -0.02 -0.09 0.00 1.11 0.00 0.00 29.97 30.98 2kwc h ARG 14 CO 0.00 0.05 0.76 -0.22 0.10 0.00 0.00 179.97 180.66 2kwc h LYS 15 N 0.08 0.23 0.02 0.08 3.64 -1.49 0.61 116.57 119.74 2kwc h LYS 15 Ca 0.03 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.25 2kwc h LYS 15 Cb 0.01 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2kwc h LYS 15 CO -0.03 0.15 -0.59 0.00 -2.27 0.00 0.00 179.45 176.72 2kwc h ALA 16 N 1.55 0.05 -0.70 5.00 0.00 0.42 -3.04 119.26 122.54 2kwc h ALA 16 Ca 0.63 -0.58 0.15 0.00 0.00 0.00 0.00 54.91 55.12 2kwc h ALA 16 Cb 1.92 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 19.63 2kwc h ALA 16 CO -0.24 0.32 -0.02 1.49 0.00 0.00 0.00 179.25 180.80 2kwc h GLU 17 N -0.20 0.09 -0.45 0.00 4.81 0.19 0.20 114.58 119.22 2kwc h GLU 17 Ca -0.08 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2kwc h GLU 17 Cb 1.32 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 2kwc h GLU 17 CO 0.11 0.06 0.29 0.66 -0.73 0.00 0.00 179.01 179.40 2kwc h SER 18 N 0.09 0.53 -0.66 1.04 4.64 -1.24 -0.85 113.55 117.11 2kwc h SER 18 Ca 0.37 -0.03 0.19 0.00 -0.47 0.00 0.00 61.79 61.85 2kwc h SER 18 Cb 0.62 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 2kwc h SER 18 CO -0.62 0.41 0.59 -0.33 -0.87 0.00 0.00 176.83 176.00 2kwc h GLU 19 N 0.61 0.00 0.00 4.77 4.39 -0.51 0.50 114.58 124.34 2kwc h GLU 19 Ca 0.16 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 2kwc h GLU 19 Cb -0.04 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2kwc h GLU 19 CO -0.03 0.00 -0.04 0.00 -1.16 0.00 0.00 179.01 177.78 2kwc h ARG 20 N 0.00 0.00 -0.02 2.33 3.08 -0.39 -2.55 114.38 116.83 2kwc h ARG 20 Ca 0.31 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.37 2kwc h ARG 20 Cb 1.48 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.53 2kwc h ARG 20 CO -0.00 0.26 0.18 0.82 -1.07 0.00 0.00 179.97 180.15 2kwc h ILE 21 N -1.00 0.05 0.05 2.04 2.04 -0.46 0.69 117.51 120.92 2kwc h ILE 21 Ca -0.01 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.60 2kwc h ILE 21 Cb 0.28 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2kwc h ILE 21 CO -0.00 0.00 -1.28 0.00 0.00 0.00 0.00 178.15 176.86 2kwc h ALA 22 N 1.66 0.37 0.06 1.87 0.00 -0.11 0.45 119.26 123.56 2kwc h ALA 22 Ca 0.01 -1.05 -0.24 0.00 0.00 0.00 0.00 54.91 53.63 2kwc h ALA 22 Cb 0.37 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kwc h ALA 22 CO -0.00 1.24 -1.06 0.22 0.00 0.00 0.00 179.25 179.65 2kwc h ASP 23 N 0.03 0.46 0.01 0.00 3.58 0.64 -2.64 116.42 118.49 2kwc h ASP 23 Ca -0.13 -0.42 -0.11 0.00 0.42 0.00 0.00 57.03 56.79 2kwc h ASP 23 Cb 1.90 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.79 2kwc h ASP 23 CO 0.14 1.26 -0.61 -0.09 -2.88 0.00 0.00 179.24 177.06 2kwc h ARG 24 N 0.15 0.02 -2.55 0.28 9.65 -0.55 -3.44 114.38 117.95 2kwc h ARG 24 Ca -0.10 -0.03 -0.58 0.00 -1.10 0.00 0.00 59.98 58.17 2kwc h ARG 24 Cb 1.74 0.01 -0.39 0.00 -1.39 0.00 0.00 29.97 29.94 2kwc h ARG 24 CO 0.18 1.01 -0.87 -0.06 2.80 0.00 0.00 179.97 183.03 2kwc s PHE 25 N -2.30 0.78 -1.76 2.20 0.08 0.16 -4.95 117.98 112.19 2kwc s PHE 25 Ca -0.23 -1.74 0.23 0.00 0.12 0.00 0.00 56.93 55.31 2kwc s PHE 25 Cb 0.01 -0.91 1.31 0.00 -0.57 0.00 0.00 43.02 42.86 2kwc s PHE 25 CO 0.65 -0.83 1.77 -0.35 -0.10 0.00 0.00 175.22 176.37 2kwc n PRO 26 N 3.84 0.57 -0.93 0.24 -0.04 -0.99 -2.40 135.00 135.28 2kwc n PRO 26 Ca 0.15 0.03 -0.04 0.00 -0.04 0.00 0.00 63.50 63.60 2kwc n PRO 26 Cb 0.39 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.63 2kwc n PRO 26 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2kwc n ASN 27 N -1.12 4.43 -4.20 3.54 5.03 -1.26 -4.95 115.26 116.73 2kwc n ASN 27 Ca 0.15 -3.27 -0.25 0.00 0.87 0.00 0.00 54.58 52.08 2kwc n ASN 27 Cb 0.12 -0.71 -0.04 0.00 -1.02 0.00 0.00 39.78 38.13 2kwc n ASN 27 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2kwc n ARG 28 N -0.34 0.97 -3.34 3.52 5.12 -1.01 -2.92 116.66 118.66 2kwc n ARG 28 Ca 0.38 -2.96 -0.13 0.00 -1.93 0.00 0.00 57.85 53.20 2kwc n ARG 28 Cb 1.29 0.70 -0.07 0.00 -1.16 0.00 0.00 32.46 33.22 2kwc n ARG 28 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2kwc s ILE 29 N -2.43 -0.50 -0.80 0.55 1.01 0.46 -4.63 121.20 114.86 2kwc s ILE 29 Ca 0.05 -0.55 -0.25 0.00 0.00 0.00 0.00 60.65 59.89 2kwc s ILE 29 Cb -0.00 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.64 2kwc s ILE 29 CO 0.03 -0.41 1.62 -2.16 0.00 0.00 0.00 174.94 174.01 2kwc s PRO 30 N 2.10 2.99 0.52 2.79 0.04 -1.26 -3.05 135.00 139.13 2kwc s PRO 30 Ca 0.12 -0.22 -0.06 0.00 0.04 0.00 0.00 61.00 60.88 2kwc s PRO 30 Cb -0.13 -4.69 -0.03 0.00 0.04 0.00 0.00 34.50 29.68 2kwc s PRO 30 CO -0.21 -2.58 0.84 0.54 0.04 0.00 0.00 177.00 175.63 2kwc s VAL 31 N 7.39 4.80 -0.36 -0.36 0.11 -1.20 -4.06 120.40 126.71 2kwc s VAL 31 Ca 0.54 0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.91 2kwc s VAL 31 Cb -0.07 -3.84 0.12 0.00 -1.53 0.00 0.00 36.38 31.06 2kwc s VAL 31 CO 0.08 -0.89 0.18 -0.63 -3.33 0.00 0.00 175.10 170.51 2kwc s ILE 32 N -2.84 0.76 0.22 7.04 -1.09 -1.02 -3.72 121.20 120.54 2kwc s ILE 32 Ca 0.49 -1.83 0.02 0.00 -2.23 0.00 0.00 60.65 57.11 2kwc s ILE 32 Cb -0.10 -1.55 -0.03 0.00 -1.58 0.00 0.00 42.46 39.19 2kwc s ILE 32 CO 0.47 -0.85 0.37 0.00 -1.23 0.00 0.00 174.94 173.70 2kwc s GLU 34 N -3.65 -0.05 0.23 0.00 2.02 -0.46 -4.73 118.70 112.06 2kwc s GLU 34 Ca 0.36 0.30 -0.31 0.00 0.02 0.00 0.00 54.97 55.35 2kwc s GLU 34 Cb -0.10 -0.73 -0.15 0.00 0.10 0.00 0.00 34.13 33.26 2kwc s GLU 34 CO 0.30 -0.38 1.15 1.17 0.02 0.00 0.00 175.26 177.51 2kwc n LYS 35 N 5.29 1.37 -1.90 1.61 0.00 -1.26 -4.25 118.16 119.02 2kwc n LYS 35 Ca -0.04 0.49 -0.43 0.00 0.00 0.00 0.00 58.31 58.33 2kwc n LYS 35 Cb 0.50 -1.96 -0.03 0.00 0.00 0.00 0.00 35.03 33.54 2kwc n LYS 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kwc s ALA 36 N -0.49 2.81 0.25 3.14 0.00 -1.18 -4.84 121.76 121.45 2kwc s ALA 36 Ca 0.67 0.38 -0.03 0.00 0.00 0.00 0.00 51.96 52.97 2kwc s ALA 36 Cb -0.76 -4.04 0.49 0.00 0.00 0.00 0.00 23.12 18.81 2kwc s ALA 36 CO 0.55 -2.70 1.72 1.05 0.00 0.00 0.00 175.76 176.37 2kwc h GLU 37 N 13.51 0.39 -0.50 0.00 4.11 -1.94 0.47 114.58 130.61 2kwc h GLU 37 Ca -0.35 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.03 2kwc h GLU 37 Cb 1.19 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 2kwc h GLU 37 CO 1.02 0.26 0.20 0.87 0.07 0.00 0.00 179.01 181.42 2kwc h LYS 38 N 0.40 0.72 -6.25 1.06 1.79 -2.01 -3.44 116.57 108.85 2kwc h LYS 38 Ca 0.43 -0.10 -0.41 0.00 -2.18 0.00 0.00 60.65 58.39 2kwc h LYS 38 Cb 0.70 -0.13 0.21 0.00 -1.58 0.00 0.00 32.23 31.43 2kwc h LYS 38 CO -0.44 0.60 -1.50 -1.13 -1.08 0.00 0.00 179.45 175.90 2kwc n SER 39 N -4.35 -2.67 -0.13 0.86 3.41 0.16 -4.92 113.62 105.98 2kwc n SER 39 Ca 0.04 -0.12 0.08 0.00 -0.26 0.00 0.00 58.87 58.61 2kwc n SER 39 Cb 0.16 -0.74 0.11 0.00 -0.26 0.00 0.00 64.21 63.48 2kwc n SER 39 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kwc n ASP 40 N 0.46 1.94 -4.92 4.04 9.92 -1.26 -5.00 116.55 121.72 2kwc n ASP 40 Ca 0.00 -2.84 -0.26 0.00 -0.53 0.00 0.00 54.79 51.17 2kwc n ASP 40 Cb 0.60 -0.37 0.00 0.00 -0.64 0.00 0.00 41.12 40.71 2kwc n ASP 40 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 2kwc s ILE 41 N -2.30 4.70 -0.12 0.53 -4.36 -1.26 -5.03 121.20 113.36 2kwc s ILE 41 Ca 0.25 -0.08 -0.29 0.00 -0.26 0.00 0.00 60.65 60.27 2kwc s ILE 41 Cb 0.22 -3.77 -0.02 0.00 1.25 0.00 0.00 42.46 40.14 2kwc s ILE 41 CO 0.02 -0.67 1.26 -2.16 0.24 0.00 0.00 174.94 173.63 2kwc s PRO 42 N -4.64 4.27 0.99 0.37 0.04 -1.26 -5.01 135.00 129.76 2kwc s PRO 42 Ca 0.46 1.69 -0.11 0.00 0.04 0.00 0.00 61.00 63.08 2kwc s PRO 42 Cb -0.10 -3.70 0.18 0.00 0.04 0.00 0.00 34.50 30.93 2kwc s PRO 42 CO 0.42 -0.62 1.09 -2.00 0.04 0.00 0.00 177.00 175.93 2kwc s GLU 43 N 3.06 0.49 0.43 4.56 2.12 -1.26 -4.81 118.70 123.29 2kwc s GLU 43 Ca 0.56 1.10 0.08 0.00 0.36 0.00 0.00 54.97 57.06 2kwc s GLU 43 Cb -0.23 -1.70 -0.01 0.00 0.26 0.00 0.00 34.13 32.45 2kwc s GLU 43 CO 0.18 -2.85 0.42 0.96 -0.54 0.00 0.00 175.26 173.43 2kwc s ILE 44 N -2.68 2.61 0.04 -3.70 -4.36 -1.26 -4.96 121.20 106.90 2kwc s ILE 44 Ca 0.66 -1.29 -0.30 0.00 -0.26 0.00 0.00 60.65 59.46 2kwc s ILE 44 Cb -0.22 -2.90 -0.17 0.00 1.25 0.00 0.00 42.46 40.41 2kwc s ILE 44 CO 0.60 0.00 1.39 -0.78 0.24 0.00 0.00 174.94 176.39 2kwc h ASP 45 N 0.92 -0.72 -3.34 4.36 1.82 -1.96 -3.47 116.42 114.02 2kwc h ASP 45 Ca -0.40 -0.02 -0.22 0.00 -0.39 0.00 0.00 57.03 56.00 2kwc h ASP 45 Cb 1.27 0.19 -0.06 0.00 0.68 0.00 0.00 39.33 41.41 2kwc h ASP 45 CO 0.55 -0.42 -0.21 2.29 -1.61 0.00 0.00 179.24 179.84 2kwc n LYS 46 N -5.40 0.27 -3.88 0.28 0.00 -1.26 -5.14 118.16 103.03 2kwc n LYS 46 Ca -0.13 -1.53 -0.30 0.00 -0.00 0.00 0.00 58.31 56.35 2kwc n LYS 46 Cb 0.36 1.19 -0.15 0.00 -0.00 0.00 0.00 35.03 36.43 2kwc n LYS 46 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2kwc s ARG 47 N -2.63 1.16 -0.29 -1.58 3.00 -1.26 -5.06 118.95 112.28 2kwc s ARG 47 Ca 0.17 -1.38 -0.06 0.00 0.00 0.00 0.00 55.73 54.45 2kwc s ARG 47 Cb 0.01 -2.58 0.15 0.00 0.00 0.00 0.00 34.95 32.53 2kwc s ARG 47 CO 0.12 -0.91 0.61 0.21 0.00 0.00 0.00 175.30 175.34 2kwc s LYS 48 N 1.29 0.56 -0.39 3.54 2.20 -1.26 -4.77 119.74 120.91 2kwc s LYS 48 Ca 0.08 1.25 0.01 0.00 -0.36 0.00 0.00 55.97 56.95 2kwc s LYS 48 Cb -0.18 0.70 0.12 0.00 -1.51 0.00 0.00 37.83 36.96 2kwc s LYS 48 CO -0.15 -0.37 0.18 0.71 -0.36 0.00 0.00 175.35 175.35 2kwc s TYR 49 N 2.86 2.02 -0.93 4.03 1.51 -1.24 -5.05 117.35 120.55 2kwc s TYR 49 Ca 0.05 -2.25 -0.24 0.00 -1.01 0.00 0.00 57.07 53.62 2kwc s TYR 49 Cb -0.13 -1.91 0.02 0.00 -0.11 0.00 0.00 41.96 39.83 2kwc s TYR 49 CO -0.19 -0.82 1.56 -1.17 -1.11 0.00 0.00 175.55 173.81 2kwc s LEU 50 N 0.79 3.37 0.03 -1.29 1.98 -1.26 -3.27 118.68 119.03 2kwc s LEU 50 Ca 0.15 -1.04 0.04 0.00 -2.89 0.00 0.00 54.13 50.39 2kwc s LEU 50 Cb -0.22 -2.56 -0.04 0.00 0.66 0.00 0.00 46.19 44.03 2kwc s LEU 50 CO -0.08 -1.88 -0.06 0.68 -1.89 0.00 0.00 176.35 173.12 2kwc s VAL 51 N 6.44 3.68 0.98 1.68 -7.23 -1.17 -4.91 120.40 119.87 2kwc s VAL 51 Ca 0.51 -0.89 -0.14 0.00 -1.81 0.00 0.00 61.98 59.65 2kwc s VAL 51 Cb -0.03 -2.65 0.18 0.00 0.56 0.00 0.00 36.38 34.44 2kwc s VAL 51 CO -0.03 0.30 1.17 -2.16 -0.31 0.00 0.00 175.10 174.07 2kwc s PRO 52 N -1.71 0.58 -0.10 4.82 0.04 -1.26 0.17 135.00 137.54 2kwc s PRO 52 Ca 0.19 0.08 0.08 0.00 0.04 0.00 0.00 61.00 61.39 2kwc s PRO 52 Cb -0.11 -1.79 0.40 0.00 0.04 0.00 0.00 34.50 33.04 2kwc s PRO 52 CO 0.10 -2.54 1.15 0.00 0.04 0.00 0.00 177.00 175.76 2kwc n ALA 53 N -3.96 3.09 -0.23 8.56 0.00 -1.15 -3.20 120.51 123.63 2kwc n ALA 53 Ca 0.10 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2kwc n ALA 53 Cb 0.59 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.99 2kwc n ALA 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kwc n ASP 54 N 0.36 0.93 -4.93 0.00 10.43 -1.26 -4.32 116.55 117.76 2kwc n ASP 54 Ca 0.14 -1.16 -0.27 0.00 2.57 0.00 0.00 54.79 56.08 2kwc n ASP 54 Cb 0.67 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.61 2kwc n ASP 54 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 2kwc s LEU 55 N -0.16 4.11 0.34 0.64 0.20 -1.19 -4.97 118.68 117.64 2kwc s LEU 55 Ca 0.00 0.51 0.08 0.00 0.69 0.00 0.00 54.13 55.41 2kwc s LEU 55 Cb 0.00 -3.32 -0.04 0.00 -0.43 0.00 0.00 46.19 42.39 2kwc s LEU 55 CO 0.00 -0.17 0.14 0.42 -0.29 0.00 0.00 176.35 176.45 2kwc s THR 56 N -2.08 3.03 0.31 3.68 -4.23 -1.26 -1.02 115.64 114.07 2kwc s THR 56 Ca 0.41 -1.70 0.05 0.00 -1.18 0.00 0.00 61.69 59.27 2kwc s THR 56 Cb -0.10 -2.98 0.30 0.00 1.34 0.00 0.00 72.50 71.06 2kwc s THR 56 CO 0.31 -0.18 1.80 0.58 -0.54 0.00 0.00 174.62 176.59 2kwc h VAL 57 N 1.55 0.76 -0.62 2.29 2.07 -1.07 -2.10 116.25 119.13 2kwc h VAL 57 Ca -0.44 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 66.87 2kwc h VAL 57 Cb 1.25 -0.11 -0.09 0.00 -1.52 0.00 0.00 31.29 30.82 2kwc h VAL 57 CO 0.63 0.15 -0.50 1.23 0.02 0.00 0.00 177.57 179.10 2kwc h GLY 58 N 0.81 -1.11 -0.42 2.17 0.00 -1.03 0.16 103.07 103.65 2kwc h GLY 58 Ca 0.55 0.79 0.15 0.00 0.00 0.00 0.00 47.33 48.83 2kwc h GLY 58 CO -0.34 -0.14 -0.13 1.46 0.00 0.00 0.00 176.54 177.39 2kwc h GLN 59 N -0.17 0.03 -0.10 4.80 1.08 -1.64 -0.76 115.11 118.35 2kwc h GLN 59 Ca 0.10 -0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.34 2kwc h GLN 59 Cb 0.44 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.80 2kwc h GLN 59 CO -0.67 0.02 -0.48 0.35 -0.95 0.00 0.00 178.83 177.10 2kwc h PHE 60 N 0.03 -1.39 -1.26 2.96 3.57 -0.71 0.53 116.94 120.67 2kwc h PHE 60 Ca 0.36 0.05 0.36 0.00 3.53 0.00 0.00 57.97 62.28 2kwc h PHE 60 Cb 0.59 0.62 -0.05 0.00 2.79 0.00 0.00 35.95 39.90 2kwc h PHE 60 CO -0.53 -0.52 1.05 0.28 -2.23 0.00 0.00 178.31 176.36 2kwc h VAL 61 N -0.56 0.19 0.11 1.41 2.07 0.04 0.86 116.25 120.37 2kwc h VAL 61 Ca 0.05 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.32 2kwc h VAL 61 Cb 0.67 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2kwc h VAL 61 CO -0.40 0.00 -1.26 0.22 0.02 0.00 0.00 177.57 176.15 2kwc h TYR 62 N 0.00 0.44 -0.00 1.57 3.20 0.19 -3.07 116.97 119.30 2kwc h TYR 62 Ca 0.60 -0.32 0.03 0.00 3.14 0.00 0.00 58.73 62.18 2kwc h TYR 62 Cb 2.69 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 40.89 2kwc h TYR 62 CO 0.00 1.49 -0.33 0.28 -1.64 0.00 0.00 178.16 177.96 2kwc h VAL 63 N -0.35 0.29 -0.05 1.81 2.07 0.46 -2.05 116.25 118.42 2kwc h VAL 63 Ca -0.27 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.29 2kwc h VAL 63 Cb 1.71 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 2kwc h VAL 63 CO 0.07 0.00 -0.22 0.40 0.02 0.00 0.00 177.57 177.84 2kwc h ILE 64 N -0.48 0.48 -1.76 4.57 5.03 -1.20 0.62 117.51 124.77 2kwc h ILE 64 Ca 0.06 0.00 0.54 0.00 -0.12 0.00 0.00 64.86 65.34 2kwc h ILE 64 Cb 0.57 0.48 -0.10 0.00 -3.03 0.00 0.00 36.82 34.74 2kwc h ILE 64 CO -0.27 0.00 1.23 -1.14 -0.68 0.00 0.00 178.15 177.28 2kwc n ARG 65 N -5.35 -0.01 -0.03 2.37 0.63 -0.82 0.19 116.66 113.65 2kwc n ARG 65 Ca -0.04 1.14 -0.17 0.00 -0.92 0.00 0.00 57.85 57.86 2kwc n ARG 65 Cb 0.26 -2.48 -0.14 0.00 0.45 0.00 0.00 32.46 30.56 2kwc n ARG 65 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2kwc h LYS 66 N 0.00 0.11 -0.33 -0.14 6.56 -0.41 1.38 116.57 123.75 2kwc h LYS 66 Ca 0.92 -0.19 0.09 0.00 -1.06 0.00 0.00 60.65 60.41 2kwc h LYS 66 Cb 3.43 0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 35.15 2kwc h LYS 66 CO -0.17 1.09 0.26 0.00 -2.06 0.00 0.00 179.45 178.56 2kwc h ARG 67 N -0.76 0.00 0.00 3.15 -0.00 0.30 0.63 114.38 117.70 2kwc h ARG 67 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.41 2kwc h ARG 67 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.23 2kwc h ARG 67 CO 0.05 0.00 -0.72 0.44 0.00 0.00 0.00 179.97 179.73 2kwc n ILE 68 N -4.26 0.00 -4.24 2.04 -5.35 0.14 -4.79 119.36 102.89 2kwc n ILE 68 Ca 0.05 -0.21 -0.31 0.00 -0.27 0.00 0.00 62.75 62.01 2kwc n ILE 68 Cb 0.43 0.91 -0.08 0.00 -1.74 0.00 0.00 39.64 39.16 2kwc n ILE 68 CO 0.00 0.00 0.00 1.15 -1.76 0.00 0.00 176.55 175.94 2kwc n MET 69 N -1.38 -1.26 -0.88 6.28 0.00 0.46 -4.88 117.12 115.47 2kwc n MET 69 Ca 0.02 0.14 -0.30 0.00 0.00 0.00 0.00 57.70 57.56 2kwc n MET 69 Cb 0.22 -3.66 0.17 0.00 0.00 0.00 0.00 33.22 29.95 2kwc n MET 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2kwc s LEU 70 N -7.32 2.16 0.64 3.17 1.43 -0.69 -5.00 118.68 113.08 2kwc s LEU 70 Ca 0.04 1.76 -0.13 0.00 -1.03 0.00 0.00 54.13 54.76 2kwc s LEU 70 Cb -0.02 -4.06 -0.02 0.00 0.03 0.00 0.00 46.19 42.12 2kwc s LEU 70 CO 0.98 -3.14 1.05 -2.16 0.23 0.00 0.00 176.35 173.32 2kwc s PRO 71 N -4.72 3.16 0.00 1.29 0.04 -1.26 -4.93 135.00 128.58 2kwc s PRO 71 Ca 0.66 1.06 0.24 0.00 0.04 0.00 0.00 61.00 62.99 2kwc s PRO 71 Cb -0.21 -2.02 1.39 0.00 0.04 0.00 0.00 34.50 33.70 2kwc s PRO 71 CO 0.59 -0.93 1.79 -0.35 0.04 0.00 0.00 177.00 178.14 2kwc n PRO 72 N -2.58 0.69 -0.00 0.56 -0.04 -1.26 -2.08 135.00 130.30 2kwc n PRO 72 Ca 0.08 0.01 0.10 0.00 -0.04 0.00 0.00 63.50 63.65 2kwc n PRO 72 Cb 0.53 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.36 2kwc n PRO 72 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2kwc n GLU 73 N -1.04 0.24 -2.81 0.54 0.28 -1.26 -4.96 120.64 111.63 2kwc n GLU 73 Ca 0.17 -0.07 -0.22 0.00 -0.16 0.00 0.00 57.16 56.88 2kwc n GLU 73 Cb 0.10 -1.51 0.09 0.00 1.43 0.00 0.00 31.44 31.55 2kwc n GLU 73 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2kwc s LYS 74 N -3.19 1.91 -0.27 3.44 1.02 -0.88 -5.12 119.74 116.65 2kwc s LYS 74 Ca 0.02 -1.41 -0.01 0.00 0.02 0.00 0.00 55.97 54.60 2kwc s LYS 74 Cb 0.15 -2.47 0.16 0.00 -0.52 0.00 0.00 37.83 35.15 2kwc s LYS 74 CO 0.88 -1.22 0.49 0.00 -0.92 0.00 0.00 175.35 174.57 2kwc s ALA 75 N -2.94 -1.67 0.23 5.17 0.00 -1.26 -4.92 121.76 116.37 2kwc s ALA 75 Ca 0.65 1.24 -0.02 0.00 0.00 0.00 0.00 51.96 53.83 2kwc s ALA 75 Cb -0.05 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 2kwc s ALA 75 CO 0.42 -1.38 0.44 -1.50 0.00 0.00 0.00 175.76 173.74 2kwc s ILE 76 N 2.69 5.15 0.03 0.00 2.07 -1.26 -4.22 121.20 125.67 2kwc s ILE 76 Ca 0.16 -0.24 0.01 0.00 -1.41 0.00 0.00 60.65 59.17 2kwc s ILE 76 Cb -0.15 -3.73 -0.02 0.00 0.13 0.00 0.00 42.46 38.69 2kwc s ILE 76 CO -0.20 -0.21 -0.06 -0.36 -1.91 0.00 0.00 174.94 172.20 2kwc s PHE 77 N -1.93 0.52 0.22 3.50 0.08 0.02 -4.97 117.98 115.42 2kwc s PHE 77 Ca 0.40 -0.48 0.04 0.00 0.12 0.00 0.00 56.93 57.02 2kwc s PHE 77 Cb -0.11 -0.32 -0.03 0.00 -0.57 0.00 0.00 43.02 41.99 2kwc s PHE 77 CO 0.29 -0.11 0.34 0.42 -0.10 0.00 0.00 175.22 176.06 2kwc s ILE 78 N -1.31 5.26 0.01 0.64 -1.09 -1.26 -0.17 121.20 123.28 2kwc s ILE 78 Ca -0.11 -0.93 -0.11 0.00 -2.23 0.00 0.00 60.65 57.27 2kwc s ILE 78 Cb -0.09 -3.83 0.01 0.00 -1.58 0.00 0.00 42.46 36.97 2kwc s ILE 78 CO -0.00 -0.28 0.22 -0.36 -1.23 0.00 0.00 174.94 173.29 2kwc s PHE 79 N -1.93 -0.03 -0.05 3.97 0.40 0.16 -4.54 117.98 115.96 2kwc s PHE 79 Ca 0.34 -0.05 -0.01 0.00 -0.60 0.00 0.00 56.93 56.62 2kwc s PHE 79 Cb -0.09 0.01 0.03 0.00 0.51 0.00 0.00 43.02 43.48 2kwc s PHE 79 CO 0.29 -0.38 0.01 0.14 0.70 0.00 0.00 175.22 175.98 2kwc s VAL 80 N -1.82 0.18 -1.24 -0.44 -7.23 0.52 -0.78 120.40 109.59 2kwc s VAL 80 Ca -0.11 0.18 -0.02 0.00 -1.81 0.00 0.00 61.98 60.22 2kwc s VAL 80 Cb -0.04 -0.34 -0.01 0.00 0.56 0.00 0.00 36.38 36.55 2kwc s VAL 80 CO 0.00 0.20 0.80 0.59 -0.31 0.00 0.00 175.10 176.38 2kwc n ASN 81 N 4.79 -2.24 -3.86 4.85 3.02 -1.26 -1.43 115.26 119.13 2kwc n ASN 81 Ca -0.14 -0.78 -0.27 0.00 -0.03 0.00 0.00 54.58 53.37 2kwc n ASN 81 Cb 0.50 -4.38 0.02 0.00 -0.61 0.00 0.00 39.78 35.32 2kwc n ASN 81 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2kwc n ASP 82 N -3.06 -3.22 -4.03 6.41 2.03 -1.26 -4.96 116.55 108.46 2kwc n ASP 82 Ca -0.26 -0.82 -0.12 0.00 0.52 0.00 0.00 54.79 54.12 2kwc n ASP 82 Cb 0.66 -3.84 -0.08 0.00 -0.72 0.00 0.00 41.12 37.14 2kwc n ASP 82 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2kwc s THR 83 N -3.47 0.00 -0.38 5.18 -1.32 -0.51 -4.95 115.64 110.18 2kwc s THR 83 Ca 0.40 -1.81 0.02 0.00 -1.21 0.00 0.00 61.69 59.08 2kwc s THR 83 Cb -0.20 -2.43 0.12 0.00 -1.51 0.00 0.00 72.50 68.48 2kwc s THR 83 CO 0.83 0.00 0.16 -0.22 -2.21 0.00 0.00 174.62 173.18 2kwc s LEU 84 N -3.14 3.00 0.89 9.08 0.20 -1.26 -0.35 118.68 127.10 2kwc s LEU 84 Ca 0.34 -2.22 -0.12 0.00 0.69 0.00 0.00 54.13 52.81 2kwc s LEU 84 Cb 0.04 -1.12 0.13 0.00 -0.43 0.00 0.00 46.19 44.81 2kwc s LEU 84 CO 0.13 -0.34 1.13 -2.16 -0.29 0.00 0.00 176.35 174.82 2kwc s PRO 85 N 0.85 1.31 0.70 0.98 0.04 -1.26 -5.02 135.00 132.60 2kwc s PRO 85 Ca 0.14 0.35 -0.11 0.00 0.04 0.00 0.00 61.00 61.41 2kwc s PRO 85 Cb -0.21 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.49 2kwc s PRO 85 CO -0.10 -2.09 1.06 -1.25 0.04 0.00 0.00 177.00 174.66 2kwc s PRO 86 N -5.26 2.87 0.13 0.56 0.04 -1.26 -4.96 135.00 127.12 2kwc s PRO 86 Ca 0.63 0.93 0.26 0.00 0.04 0.00 0.00 61.00 62.87 2kwc s PRO 86 Cb -0.15 -1.98 0.81 0.00 0.04 0.00 0.00 34.50 33.22 2kwc s PRO 86 CO 0.53 -1.14 1.71 -2.37 0.04 0.00 0.00 177.00 175.78 2kwc n THR 87 N -3.15 0.37 0.11 1.26 5.66 -1.26 -3.05 114.28 114.23 2kwc n THR 87 Ca 0.07 -0.20 0.07 0.00 -3.05 0.00 0.00 64.05 60.94 2kwc n THR 87 Cb 0.54 -0.43 0.01 0.00 -1.55 0.00 0.00 70.33 68.90 2kwc n THR 87 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kwc h ALA 88 N 2.67 0.67 -1.86 1.79 0.00 -1.94 0.11 119.26 120.70 2kwc h ALA 88 Ca 0.00 -0.32 -0.61 0.00 0.00 0.00 0.00 54.91 53.97 2kwc h ALA 88 Cb 0.67 0.06 0.11 0.00 0.00 0.00 0.00 17.79 18.62 2kwc h ALA 88 CO 0.00 0.38 0.07 0.00 0.00 0.00 0.00 179.25 179.70 2kwc n ALA 89 N -2.23 -0.54 -2.67 0.00 0.00 -1.17 -4.71 120.51 109.18 2kwc n ALA 89 Ca -0.01 0.40 -0.38 0.00 0.00 0.00 0.00 53.44 53.45 2kwc n ALA 89 Cb 0.66 -1.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.08 2kwc n ALA 89 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2kwc s LEU 90 N 0.74 4.31 0.36 0.00 2.96 -1.26 -1.13 118.68 124.66 2kwc s LEU 90 Ca 0.60 0.87 0.24 0.00 -0.22 0.00 0.00 54.13 55.63 2kwc s LEU 90 Cb -0.73 -2.71 1.32 0.00 0.50 0.00 0.00 46.19 44.56 2kwc s LEU 90 CO 0.59 0.04 1.75 0.24 -1.32 0.00 0.00 176.35 177.65 2kwc h MET 91 N 6.40 0.00 0.01 1.98 2.86 -1.38 0.27 114.93 125.06 2kwc h MET 91 Ca -0.43 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.03 2kwc h MET 91 Cb 1.19 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.86 2kwc h MET 91 CO 0.73 0.00 -0.71 0.66 1.06 0.00 0.00 176.91 178.65 2kwc h SER 92 N 0.00 0.61 0.00 1.22 4.64 -1.78 -2.49 113.55 115.74 2kwc h SER 92 Ca 0.00 -0.77 -0.03 0.00 -0.47 0.00 0.00 61.79 60.53 2kwc h SER 92 Cb 0.01 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 61.91 2kwc h SER 92 CO 0.00 1.30 -0.16 0.00 -0.87 0.00 0.00 176.83 177.10 2kwc h ALA 93 N 0.32 0.03 -0.42 5.18 0.00 -1.53 -2.66 119.26 120.18 2kwc h ALA 93 Ca -0.09 -0.45 0.06 0.00 0.00 0.00 0.00 54.91 54.43 2kwc h ALA 93 Cb 1.42 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 19.23 2kwc h ALA 93 CO 0.14 0.10 -0.51 0.82 0.00 0.00 0.00 179.25 179.80 2kwc h ILE 94 N -1.00 0.04 -0.26 0.00 1.08 -0.69 0.72 117.51 117.40 2kwc h ILE 94 Ca -0.04 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.45 2kwc h ILE 94 Cb 0.75 0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.53 2kwc h ILE 94 CO -0.02 0.00 0.17 0.22 -0.69 0.00 0.00 178.15 177.83 2kwc h TYR 95 N -0.37 0.25 0.00 1.37 5.03 -1.60 1.51 116.97 123.16 2kwc h TYR 95 Ca 0.10 0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.33 2kwc h TYR 95 Cb 0.59 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.78 2kwc h TYR 95 CO -0.69 0.15 -0.44 1.96 -1.32 0.00 0.00 178.16 177.82 2kwc h GLN 96 N 0.26 0.00 -0.02 1.82 4.20 0.26 1.44 115.11 123.06 2kwc h GLN 96 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2kwc h GLN 96 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2kwc h GLN 96 CO -0.02 0.44 -0.04 0.39 -0.67 0.00 0.00 178.83 178.92 2kwc n GLU 97 N -3.83 1.39 0.00 1.46 1.02 0.20 -4.24 120.64 116.65 2kwc n GLU 97 Ca -0.01 -1.42 0.00 0.00 -0.02 0.00 0.00 57.16 55.70 2kwc n GLU 97 Cb 0.49 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 2kwc n GLU 97 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kwc n HIS 98 N 0.82 0.00 -2.20 -0.32 8.25 0.50 -5.03 115.22 117.23 2kwc n HIS 98 Ca 0.09 -0.01 -0.41 0.00 -0.26 0.00 0.00 57.72 57.13 2kwc n HIS 98 Cb 0.41 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.49 2kwc n HIS 98 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2kwc s LYS 99 N -0.02 4.38 0.58 -0.41 2.36 0.49 -4.59 119.74 122.53 2kwc s LYS 99 Ca 0.00 2.07 0.09 0.00 -2.55 0.00 0.00 55.97 55.58 2kwc s LYS 99 Cb 0.00 -3.18 0.08 0.00 -1.05 0.00 0.00 37.83 33.68 2kwc s LYS 99 CO 0.00 -0.25 0.70 -0.51 1.55 0.00 0.00 175.35 176.84 2kwc s ASP 100 N 0.27 4.94 0.28 1.43 -0.00 -1.23 -4.97 116.67 117.39 2kwc s ASP 100 Ca 0.56 -0.99 0.23 0.00 -0.00 0.00 0.00 52.55 52.36 2kwc s ASP 100 Cb -0.37 0.41 1.04 0.00 -0.00 0.00 0.00 42.92 44.00 2kwc s ASP 100 CO 0.39 -1.32 1.71 0.29 -0.00 0.00 0.00 175.17 176.24 2kwc n LYS 101 N -2.15 0.19 -0.12 8.23 5.02 -1.26 -0.86 118.16 127.21 2kwc n LYS 101 Ca 0.11 0.48 0.05 0.00 -2.02 0.00 0.00 58.31 56.94 2kwc n LYS 101 Cb 0.62 -1.91 0.17 0.00 -0.02 0.00 0.00 35.03 33.89 2kwc n LYS 101 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2kwc n ASP 102 N -2.27 1.35 0.00 4.39 3.85 -1.26 -4.93 116.55 117.68 2kwc n ASP 102 Ca 0.01 -1.94 0.00 0.00 -0.71 0.00 0.00 54.79 52.15 2kwc n ASP 102 Cb 0.18 -0.16 0.00 0.00 -1.35 0.00 0.00 41.12 39.80 2kwc n ASP 102 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2kwc n GLY 103 N 0.93 0.98 3.08 6.12 0.00 -0.04 -4.57 105.19 111.70 2kwc n GLY 103 Ca 0.10 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 2kwc n GLY 103 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kwc n PHE 104 N 0.00 -1.61 -4.19 1.61 3.72 -1.26 -4.10 117.46 111.63 2kwc n PHE 104 Ca 0.00 0.30 -0.24 0.00 -0.05 0.00 0.00 57.45 57.47 2kwc n PHE 104 Cb 0.00 -1.44 -0.07 0.00 -0.94 0.00 0.00 39.48 37.02 2kwc n PHE 104 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2kwc s LEU 105 N 2.62 3.15 -0.10 4.37 2.96 -1.26 -3.49 118.68 126.93 2kwc s LEU 105 Ca 0.40 -0.86 -0.01 0.00 -0.22 0.00 0.00 54.13 53.43 2kwc s LEU 105 Cb -0.03 -1.58 0.03 0.00 0.50 0.00 0.00 46.19 45.11 2kwc s LEU 105 CO 0.51 -0.28 -0.02 -0.72 -1.32 0.00 0.00 176.35 174.52 2kwc s TYR 106 N -2.46 1.01 0.16 5.38 1.13 -1.26 -2.43 117.35 118.87 2kwc s TYR 106 Ca 0.37 -0.45 0.01 0.00 -1.41 0.00 0.00 57.07 55.59 2kwc s TYR 106 Cb -0.01 -0.98 -0.04 0.00 -1.10 0.00 0.00 41.96 39.82 2kwc s TYR 106 CO 0.21 -0.42 0.01 0.54 -2.51 0.00 0.00 175.55 173.37 2kwc s VAL 107 N 1.86 0.56 -0.19 -3.49 0.11 -1.06 -4.42 120.40 113.77 2kwc s VAL 107 Ca 0.04 -1.96 -0.09 0.00 -2.93 0.00 0.00 61.98 57.05 2kwc s VAL 107 Cb -0.13 -2.05 0.07 0.00 -1.53 0.00 0.00 36.38 32.74 2kwc s VAL 107 CO -0.07 -0.52 0.44 -0.89 -3.33 0.00 0.00 175.10 170.73 2kwc s THR 108 N -3.73 -0.23 0.14 5.04 2.01 0.04 -1.35 115.64 117.55 2kwc s THR 108 Ca 0.22 0.11 0.08 0.00 0.31 0.00 0.00 61.69 62.41 2kwc s THR 108 Cb 0.06 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 2kwc s THR 108 CO 0.02 0.05 -0.10 -0.72 -0.69 0.00 0.00 174.62 173.18 2kwc s TYR 109 N 1.82 2.68 -0.01 4.92 -0.85 -1.26 0.40 117.35 125.05 2kwc s TYR 109 Ca -0.07 -0.19 -0.07 0.00 -0.52 0.00 0.00 57.07 56.22 2kwc s TYR 109 Cb -0.09 -1.36 0.00 0.00 0.38 0.00 0.00 41.96 40.89 2kwc s TYR 109 CO -0.13 0.46 0.14 -1.54 -1.52 0.00 0.00 175.55 172.96 2kwc s SER 110 N -2.48 -0.01 0.47 -0.18 1.04 0.76 -3.08 113.70 110.21 2kwc s SER 110 Ca 0.23 -0.11 0.26 0.00 0.48 0.00 0.00 55.95 56.80 2kwc s SER 110 Cb -0.10 0.23 1.39 0.00 0.10 0.00 0.00 66.02 67.64 2kwc s SER 110 CO 0.14 -0.31 1.76 1.23 0.98 0.00 0.00 173.24 177.04 2kwc h GLY 111 N 4.57 0.00 -2.55 7.32 0.00 -1.85 0.11 103.07 110.66 2kwc h GLY 111 Ca -0.30 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.55 2kwc h GLY 111 CO 0.40 0.00 -0.42 1.85 0.00 0.00 0.00 176.54 178.38 2kwc s GLU 112 N -3.73 2.79 -0.20 4.80 2.56 -1.26 -4.18 118.70 119.48 2kwc s GLU 112 Ca -0.03 -1.26 0.06 0.00 0.00 0.00 0.00 54.97 53.75 2kwc s GLU 112 Cb 0.07 -2.54 0.48 0.00 2.00 0.00 0.00 34.13 34.14 2kwc s GLU 112 CO 0.23 0.05 1.40 -1.71 -0.56 0.00 0.00 175.26 174.67 2kwc n ASN 113 N -1.46 3.81 -4.94 -1.70 2.85 -1.26 -4.16 115.26 108.40 2kwc n ASN 113 Ca -0.01 -2.75 -0.24 0.00 -0.11 0.00 0.00 54.58 51.47 2kwc n ASN 113 Cb 0.60 -0.65 -0.03 0.00 1.24 0.00 0.00 39.78 40.93 2kwc n ASN 113 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2kwc s THR 114 N -2.10 5.25 -1.47 -0.44 -4.23 -1.26 -4.99 115.64 106.40 2kwc s THR 114 Ca 0.35 -0.82 0.30 0.00 -1.18 0.00 0.00 61.69 60.34 2kwc s THR 114 Cb 0.28 -3.76 0.55 0.00 1.34 0.00 0.00 72.50 70.91 2kwc s THR 114 CO 0.09 -0.18 2.06 0.49 -0.54 0.00 0.00 174.62 176.54 2kwc n PHE 115 N -0.84 0.00 0.00 3.99 3.72 -1.26 -4.83 117.46 118.24 2kwc n PHE 115 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2kwc n PHE 115 Cb 0.55 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 2kwc n PHE 115 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12