#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwc n LYS 2 N 0.00 0.00 -3.83 3.17 2.85 -1.26 -5.07 118.16 114.03 2kwc n LYS 2 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 2kwc n LYS 2 Cb 0.00 -0.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.73 2kwc n LYS 2 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2kwc s SER 3 N -4.92 -0.01 0.00 -5.58 1.04 -1.26 -4.87 113.70 98.10 2kwc s SER 3 Ca 0.00 0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.52 2kwc s SER 3 Cb 0.00 0.03 -0.00 0.00 0.10 0.00 0.00 66.02 66.15 2kwc s SER 3 CO 0.00 -0.06 0.36 0.35 0.98 0.00 0.00 173.24 174.88 2kwc n THR 4 N 3.48 0.00 -0.09 2.02 -2.24 -1.26 -4.35 114.28 111.85 2kwc n THR 4 Ca -0.18 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.02 2kwc n THR 4 Cb 0.56 1.03 0.03 0.00 -2.10 0.00 0.00 70.33 69.86 2kwc n THR 4 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2kwc h PHE 5 N 0.29 0.96 0.11 4.78 -1.00 -1.95 1.29 116.94 121.42 2kwc h PHE 5 Ca 0.00 -0.27 -0.31 0.00 2.81 0.00 0.00 57.97 60.20 2kwc h PHE 5 Cb 0.09 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.42 2kwc h PHE 5 CO 0.00 1.04 -1.62 1.57 -1.61 0.00 0.00 178.31 177.69 2kwc h LYS 6 N 0.68 0.23 0.09 1.51 5.09 -1.81 -2.26 116.57 120.10 2kwc h LYS 6 Ca 0.07 -0.40 -0.00 0.00 0.09 0.00 0.00 60.65 60.41 2kwc h LYS 6 Cb 0.90 0.15 0.00 0.00 0.10 0.00 0.00 32.23 33.38 2kwc h LYS 6 CO 0.08 1.07 -0.04 1.03 -2.09 0.00 0.00 179.45 179.50 2kwc h SER 7 N 0.06 -0.10 0.25 7.07 0.87 -1.75 -3.38 113.55 116.57 2kwc h SER 7 Ca -0.28 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 2kwc h SER 7 Cb 2.02 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 64.01 2kwc h SER 7 CO 0.14 0.19 -0.12 -0.08 -0.53 0.00 0.00 176.83 176.44 2kwc h GLU 8 N -0.65 -0.32 -6.19 2.24 4.81 0.14 -3.44 114.58 111.17 2kwc h GLU 8 Ca -0.01 0.02 -0.50 0.00 -0.13 0.00 0.00 59.36 58.74 2kwc h GLU 8 Cb 0.09 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 2kwc h GLU 8 CO 0.02 -0.19 -0.46 0.71 -0.73 0.00 0.00 179.01 178.36 2kwc s TYR 9 N -5.98 2.89 0.89 0.92 2.02 -0.85 -5.02 117.35 112.22 2kwc s TYR 9 Ca -0.15 -0.30 -0.12 0.00 -0.37 0.00 0.00 57.07 56.13 2kwc s TYR 9 Cb 0.05 -1.77 0.13 0.00 -0.40 0.00 0.00 41.96 39.97 2kwc s TYR 9 CO 0.64 0.21 1.13 -1.25 -1.57 0.00 0.00 175.55 174.71 2kwc s PRO 10 N -3.97 1.30 0.23 -1.71 0.04 -1.24 -3.40 135.00 126.25 2kwc s PRO 10 Ca 0.40 0.35 0.07 0.00 0.04 0.00 0.00 61.00 61.87 2kwc s PRO 10 Cb -0.06 -1.85 0.22 0.00 0.04 0.00 0.00 34.50 32.85 2kwc s PRO 10 CO 0.26 -2.10 1.53 0.35 0.04 0.00 0.00 177.00 177.08 2kwc h PHE 11 N -1.43 0.13 0.10 0.56 3.04 -1.82 -3.23 116.94 114.30 2kwc h PHE 11 Ca -0.50 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 61.39 2kwc h PHE 11 Cb 1.32 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.81 2kwc h PHE 11 CO 0.32 0.75 -0.05 0.93 -2.02 0.00 0.00 178.31 178.25 2kwc h GLU 12 N 0.07 -0.13 -0.81 1.11 5.08 -1.96 -2.63 114.58 115.31 2kwc h GLU 12 Ca -0.01 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 2kwc h GLU 12 Cb 1.22 0.03 -0.14 0.00 0.50 0.00 0.00 28.75 30.36 2kwc h GLU 12 CO 0.10 0.22 -0.35 0.87 -1.00 0.00 0.00 179.01 178.85 2kwc h LYS 13 N -0.51 -0.07 0.17 2.33 1.79 -1.95 1.17 116.57 119.50 2kwc h LYS 13 Ca -0.01 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.48 2kwc h LYS 13 Cb 0.42 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.04 2kwc h LYS 13 CO 0.02 -0.05 -0.41 -0.09 -1.08 0.00 0.00 179.45 177.84 2kwc h ARG 14 N -0.07 -0.65 -0.02 3.15 2.43 -1.57 0.30 114.38 117.95 2kwc h ARG 14 Ca 0.30 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.52 2kwc h ARG 14 Cb 0.58 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2kwc h ARG 14 CO -0.85 -0.44 0.08 -0.22 -1.51 0.00 0.00 179.97 177.04 2kwc h LYS 15 N -0.68 0.00 0.43 0.20 3.64 -0.46 -2.12 116.57 117.58 2kwc h LYS 15 Ca 0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2kwc h LYS 15 Cb 0.69 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2kwc h LYS 15 CO -0.21 0.00 -0.20 0.00 -2.27 0.00 0.00 179.45 176.76 2kwc h ALA 16 N 1.86 -0.58 -0.78 5.00 0.00 0.48 -1.29 119.26 123.95 2kwc h ALA 16 Ca 0.01 -0.13 0.23 0.00 0.00 0.00 0.00 54.91 55.02 2kwc h ALA 16 Cb 0.17 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2kwc h ALA 16 CO -0.00 -0.54 0.83 1.49 0.00 0.00 0.00 179.25 181.03 2kwc h GLU 17 N -1.13 0.00 0.21 0.00 4.81 -0.22 1.04 114.58 119.29 2kwc h GLU 17 Ca -0.06 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.87 2kwc h GLU 17 Cb 0.44 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.85 2kwc h GLU 17 CO 0.10 0.00 -1.38 1.03 -0.73 0.00 0.00 179.01 178.03 2kwc h SER 18 N 0.00 0.69 -1.01 1.04 0.87 -1.39 -2.93 113.55 110.82 2kwc h SER 18 Ca 0.37 -0.93 0.26 0.00 -1.23 0.00 0.00 61.79 60.26 2kwc h SER 18 Cb 2.03 -0.23 -0.08 0.00 -0.44 0.00 0.00 62.40 63.68 2kwc h SER 18 CO -0.00 1.65 0.67 -0.33 -0.53 0.00 0.00 176.83 178.29 2kwc h GLU 19 N -0.01 0.32 0.15 2.24 4.39 0.24 0.60 114.58 122.50 2kwc h GLU 19 Ca -0.25 -0.02 -0.23 0.00 0.34 0.00 0.00 59.36 59.20 2kwc h GLU 19 Cb 2.01 -0.07 0.03 0.00 -0.10 0.00 0.00 28.75 30.62 2kwc h GLU 19 CO 0.22 0.21 -0.98 0.00 -1.16 0.00 0.00 179.01 177.29 2kwc h ARG 20 N 0.33 0.41 0.00 2.33 -0.00 -1.52 -2.25 114.38 113.67 2kwc h ARG 20 Ca 0.55 -0.64 -0.00 0.00 -0.50 0.00 0.00 59.98 59.39 2kwc h ARG 20 Cb 1.51 0.23 -0.00 0.00 0.00 0.00 0.00 29.97 31.71 2kwc h ARG 20 CO -0.21 1.29 -0.02 0.82 0.00 0.00 0.00 179.97 181.84 2kwc h ILE 21 N -0.15 0.14 0.18 2.04 2.04 -0.57 0.50 117.51 121.70 2kwc h ILE 21 Ca -0.16 -0.22 -0.32 0.00 1.00 0.00 0.00 64.86 65.16 2kwc h ILE 21 Cb 1.75 1.19 0.01 0.00 -0.74 0.00 0.00 36.82 39.03 2kwc h ILE 21 CO 0.19 0.02 -1.54 0.00 0.00 0.00 0.00 178.15 176.82 2kwc h ALA 22 N 1.98 0.07 0.00 1.87 0.00 0.08 0.22 119.26 123.48 2kwc h ALA 22 Ca -0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 54.91 53.78 2kwc h ALA 22 Cb 0.19 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2kwc h ALA 22 CO 0.00 0.85 -0.49 0.22 0.00 0.00 0.00 179.25 179.84 2kwc h ASP 23 N -0.02 0.00 0.00 0.00 -0.00 -0.68 -0.29 116.42 115.43 2kwc h ASP 23 Ca -0.30 0.00 -0.12 0.00 -0.00 0.00 0.00 57.03 56.61 2kwc h ASP 23 Cb 2.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 41.31 2kwc h ASP 23 CO 0.17 0.49 -0.71 0.03 -0.00 0.00 0.00 179.24 179.22 2kwc h ARG 24 N 0.00 0.00 -2.38 0.28 2.47 -0.13 -3.43 114.38 111.18 2kwc h ARG 24 Ca -0.00 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.13 2kwc h ARG 24 Cb 0.96 0.00 -0.39 0.00 -1.65 0.00 0.00 29.97 28.89 2kwc h ARG 24 CO 0.06 0.78 -0.95 1.19 0.56 0.00 0.00 179.97 181.62 2kwc n PHE 25 N -4.54 -0.33 1.50 3.04 3.72 0.78 -4.93 117.46 116.71 2kwc n PHE 25 Ca -0.20 -3.46 0.12 0.00 -0.05 0.00 0.00 57.45 53.86 2kwc n PHE 25 Cb 0.51 0.07 0.70 0.00 -0.94 0.00 0.00 39.48 39.82 2kwc n PHE 25 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2kwc n PRO 26 N 2.50 0.75 -0.49 -1.08 -0.04 -0.12 -2.07 135.00 134.45 2kwc n PRO 26 Ca 0.28 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.82 2kwc n PRO 26 Cb 0.47 -1.49 0.30 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.99 4.22 -4.35 3.54 3.02 -1.26 -4.96 115.26 114.48 2kwc n ASN 27 Ca 0.18 -2.46 -0.20 0.00 -0.03 0.00 0.00 54.58 52.07 2kwc n ASN 27 Cb 0.08 -0.50 0.02 0.00 -0.61 0.00 0.00 39.78 38.77 2kwc n ASN 27 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kwc n ARG 28 N 0.70 0.78 -3.38 3.52 3.00 -0.88 -3.07 116.66 117.34 2kwc n ARG 28 Ca 0.22 -2.75 -0.19 0.00 -0.01 0.00 0.00 57.85 55.12 2kwc n ARG 28 Cb 0.79 0.16 -0.09 0.00 0.00 0.00 0.00 32.46 33.33 2kwc n ARG 28 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2kwc s ILE 29 N -2.16 -0.24 -0.88 0.55 1.01 0.49 -4.72 121.20 115.25 2kwc s ILE 29 Ca 0.32 -1.12 -0.25 0.00 0.00 0.00 0.00 60.65 59.61 2kwc s ILE 29 Cb -0.03 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 41.68 2kwc s ILE 29 CO 0.21 -0.66 1.66 -2.16 0.00 0.00 0.00 174.94 173.98 2kwc s PRO 30 N 1.38 3.04 -0.03 2.79 0.04 -1.25 -2.48 135.00 138.49 2kwc s PRO 30 Ca 0.17 -0.47 -0.24 0.00 0.04 0.00 0.00 61.00 60.50 2kwc s PRO 30 Cb -0.17 -4.96 -0.04 0.00 0.04 0.00 0.00 34.50 29.37 2kwc s PRO 30 CO -0.03 -2.68 0.73 0.08 0.04 0.00 0.00 177.00 175.13 2kwc s VAL 31 N 7.44 4.96 -0.64 -0.36 1.01 0.15 -3.66 120.40 129.29 2kwc s VAL 31 Ca 0.56 1.52 -0.08 0.00 0.00 0.00 0.00 61.98 63.98 2kwc s VAL 31 Cb -0.05 -4.07 0.17 0.00 0.00 0.00 0.00 36.38 32.42 2kwc s VAL 31 CO 0.01 0.28 0.51 -0.63 0.00 0.00 0.00 175.10 175.27 2kwc s ILE 32 N 0.56 4.48 0.55 2.22 -1.09 -0.72 -1.94 121.20 125.26 2kwc s ILE 32 Ca 0.39 -2.42 -0.13 0.00 -2.23 0.00 0.00 60.65 56.26 2kwc s ILE 32 Cb -0.19 -3.87 -0.06 0.00 -1.58 0.00 0.00 42.46 36.77 2kwc s ILE 32 CO 0.20 -0.89 0.98 0.00 -1.23 0.00 0.00 174.94 174.00 2kwc s GLU 34 N -4.60 0.47 0.25 0.00 2.02 0.26 -4.69 118.70 112.42 2kwc s GLU 34 Ca 0.56 0.16 -0.26 0.00 0.02 0.00 0.00 54.97 55.45 2kwc s GLU 34 Cb -0.10 -0.88 -0.16 0.00 0.10 0.00 0.00 34.13 33.08 2kwc s GLU 34 CO 0.42 -0.31 0.44 1.17 0.02 0.00 0.00 175.26 177.01 2kwc n LYS 35 N 5.17 0.06 -3.42 1.61 0.00 -1.26 -4.12 118.16 116.20 2kwc n LYS 35 Ca -0.06 0.02 -0.43 0.00 0.00 0.00 0.00 58.31 57.84 2kwc n LYS 35 Cb 0.50 -1.04 -0.10 0.00 0.00 0.00 0.00 35.03 34.39 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 -1.16 3.46 0.16 3.14 0.00 -1.20 -4.91 121.76 121.26 2kwc s ALA 36 Ca 0.63 -1.65 -0.15 0.00 0.00 0.00 0.00 51.96 50.79 2kwc s ALA 36 Cb -0.85 -2.93 0.10 0.00 0.00 0.00 0.00 23.12 19.43 2kwc s ALA 36 CO 0.58 -1.48 1.74 1.05 0.00 0.00 0.00 175.76 177.64 2kwc h GLU 37 N 8.65 0.24 -0.95 0.00 4.11 -1.90 -2.43 114.58 122.30 2kwc h GLU 37 Ca -0.27 -0.01 0.11 0.00 0.07 0.00 0.00 59.36 59.26 2kwc h GLU 37 Cb 1.12 -0.05 -0.13 0.00 0.50 0.00 0.00 28.75 30.18 2kwc h GLU 37 CO 0.75 0.16 -0.50 0.87 0.07 0.00 0.00 179.01 180.36 2kwc h LYS 38 N 0.25 -0.03 -6.23 1.06 1.79 -1.97 -3.40 116.57 108.04 2kwc h LYS 38 Ca 0.19 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.37 2kwc h LYS 38 Cb 0.20 0.01 0.16 0.00 -1.58 0.00 0.00 32.23 31.01 2kwc h LYS 38 CO -0.22 -0.02 -0.49 -1.13 -1.08 0.00 0.00 179.45 176.51 2kwc n SER 39 N -5.35 -2.95 -0.13 0.86 3.41 -0.92 -4.95 113.62 103.59 2kwc n SER 39 Ca 0.05 -0.36 0.03 0.00 -0.26 0.00 0.00 58.87 58.33 2kwc n SER 39 Cb 0.32 -0.81 0.04 0.00 -0.26 0.00 0.00 64.21 63.50 2kwc n SER 39 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2kwc n ASP 40 N -1.55 1.26 -4.80 4.04 -0.08 -1.26 -5.02 116.55 109.13 2kwc n ASP 40 Ca 0.05 -2.11 -0.31 0.00 -1.51 0.00 0.00 54.79 50.91 2kwc n ASP 40 Cb 0.43 -0.17 0.07 0.00 2.34 0.00 0.00 41.12 43.80 2kwc n ASP 40 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2kwc s ILE 41 N -1.13 3.54 0.06 5.18 -4.36 -1.26 -4.99 121.20 118.24 2kwc s ILE 41 Ca 0.09 0.50 -0.30 0.00 -0.26 0.00 0.00 60.65 60.68 2kwc s ILE 41 Cb 0.08 -3.21 -0.05 0.00 1.25 0.00 0.00 42.46 40.53 2kwc s ILE 41 CO 0.01 -0.65 1.16 -2.16 0.24 0.00 0.00 174.94 173.54 2kwc s PRO 42 N -5.07 4.46 1.15 0.37 0.04 -1.26 -5.01 135.00 129.68 2kwc s PRO 42 Ca 0.60 1.72 -0.18 0.00 0.04 0.00 0.00 61.00 63.18 2kwc s PRO 42 Cb -0.15 -3.36 0.17 0.00 0.04 0.00 0.00 34.50 31.20 2kwc s PRO 42 CO 0.55 -0.21 0.26 -1.91 0.04 0.00 0.00 177.00 175.73 2kwc n GLU 43 N 3.81 -2.04 -2.17 4.56 2.13 -1.26 -4.88 120.64 120.79 2kwc n GLU 43 Ca 0.08 -0.58 -0.07 0.00 0.66 0.00 0.00 57.16 57.25 2kwc n GLU 43 Cb 0.47 -1.79 -0.00 0.00 0.27 0.00 0.00 31.44 30.39 2kwc n GLU 43 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2kwc n ILE 44 N -4.64 0.00 -0.10 6.31 -5.35 -1.26 -4.91 119.36 109.41 2kwc n ILE 44 Ca 0.02 -0.62 -0.21 0.00 -0.27 0.00 0.00 62.75 61.67 2kwc n ILE 44 Cb 0.59 -0.35 -0.12 0.00 -1.74 0.00 0.00 39.64 38.02 2kwc n ILE 44 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2kwc h ASP 45 N 0.19 0.01 -5.22 7.28 3.32 -1.96 -3.49 116.42 116.55 2kwc h ASP 45 Ca -0.10 -0.57 -0.08 0.00 0.02 0.00 0.00 57.03 56.30 2kwc h ASP 45 Cb 0.36 -0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.78 2kwc h ASP 45 CO 0.16 1.45 -0.25 -0.75 -1.72 0.00 0.00 179.24 178.13 2kwc s LYS 46 N -2.35 1.18 -0.40 3.56 2.47 -1.26 -5.13 119.74 117.81 2kwc s LYS 46 Ca -0.28 -1.09 -0.04 0.00 -1.56 0.00 0.00 55.97 53.01 2kwc s LYS 46 Cb 0.05 0.41 0.10 0.00 -1.46 0.00 0.00 37.83 36.92 2kwc s LYS 46 CO 0.61 -0.45 0.19 -0.98 0.16 0.00 0.00 175.35 174.88 2kwc s ARG 47 N -3.94 2.14 -0.26 4.03 1.70 -1.26 -5.04 118.95 116.32 2kwc s ARG 47 Ca 0.14 -1.70 -0.17 0.00 -0.47 0.00 0.00 55.73 53.54 2kwc s ARG 47 Cb 0.02 -3.56 0.07 0.00 -0.57 0.00 0.00 34.95 30.92 2kwc s ARG 47 CO -0.02 -1.00 0.65 0.21 -1.08 0.00 0.00 175.30 174.07 2kwc s LYS 48 N 1.19 0.69 -0.24 3.89 2.20 -1.26 -4.65 119.74 121.55 2kwc s LYS 48 Ca 0.06 1.12 -0.02 0.00 -0.36 0.00 0.00 55.97 56.76 2kwc s LYS 48 Cb -0.22 0.17 0.12 0.00 -1.51 0.00 0.00 37.83 36.38 2kwc s LYS 48 CO -0.03 -0.14 0.29 0.71 -0.36 0.00 0.00 175.35 175.82 2kwc s TYR 49 N 1.37 -0.50 -0.68 4.03 1.51 -0.82 -4.99 117.35 117.27 2kwc s TYR 49 Ca -0.08 0.27 -0.11 0.00 -1.01 0.00 0.00 57.07 56.14 2kwc s TYR 49 Cb -0.05 -0.28 0.18 0.00 -0.11 0.00 0.00 41.96 41.69 2kwc s TYR 49 CO -0.15 -0.74 0.59 -0.51 -1.11 0.00 0.00 175.55 173.63 2kwc s LEU 50 N 2.40 6.20 0.20 -1.29 1.43 -1.26 0.30 118.68 126.67 2kwc s LEU 50 Ca 0.09 -2.44 0.08 0.00 -1.03 0.00 0.00 54.13 50.83 2kwc s LEU 50 Cb -0.15 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 2kwc s LEU 50 CO -0.20 -0.60 -0.01 0.68 0.23 0.00 0.00 176.35 176.45 2kwc s VAL 51 N 0.56 3.58 0.98 -1.59 -7.23 -1.03 -4.86 120.40 110.80 2kwc s VAL 51 Ca 0.13 -1.59 -0.14 0.00 -1.81 0.00 0.00 61.98 58.57 2kwc s VAL 51 Cb -0.18 -2.83 0.18 0.00 0.56 0.00 0.00 36.38 34.11 2kwc s VAL 51 CO -0.04 -0.19 1.17 -2.16 -0.31 0.00 0.00 175.10 173.57 2kwc s PRO 52 N -3.14 0.60 -0.12 4.82 0.04 -1.26 0.19 135.00 136.12 2kwc s PRO 52 Ca 0.28 0.08 0.07 0.00 0.04 0.00 0.00 61.00 61.48 2kwc s PRO 52 Cb -0.08 -1.79 0.42 0.00 0.04 0.00 0.00 34.50 33.08 2kwc s PRO 52 CO 0.18 -2.53 1.16 0.00 0.04 0.00 0.00 177.00 175.86 2kwc n ALA 53 N -3.95 3.18 -0.02 8.56 0.00 -1.17 -3.23 120.51 123.88 2kwc n ALA 53 Ca 0.09 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.56 2kwc n ALA 53 Cb 0.59 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2kwc n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kwc n ASP 54 N 0.34 0.71 -4.92 0.00 5.75 -1.26 -4.59 116.55 112.59 2kwc n ASP 54 Ca 0.14 -0.86 -0.27 0.00 -0.01 0.00 0.00 54.79 53.79 2kwc n ASP 54 Cb 0.72 0.26 -0.02 0.00 -1.03 0.00 0.00 41.12 41.05 2kwc n ASP 54 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2kwc s LEU 55 N -0.52 4.01 0.34 -2.12 0.20 -1.20 -5.00 118.68 114.39 2kwc s LEU 55 Ca 0.00 0.65 0.09 0.00 0.69 0.00 0.00 54.13 55.55 2kwc s LEU 55 Cb 0.00 -3.49 -0.05 0.00 -0.43 0.00 0.00 46.19 42.23 2kwc s LEU 55 CO 0.00 -0.25 0.09 0.42 -0.29 0.00 0.00 176.35 176.32 2kwc s THR 56 N -2.20 2.90 0.29 3.68 -4.23 -1.26 -1.87 115.64 112.95 2kwc s THR 56 Ca 0.43 -1.80 0.03 0.00 -1.18 0.00 0.00 61.69 59.18 2kwc s THR 56 Cb -0.10 -2.91 0.28 0.00 1.34 0.00 0.00 72.50 71.10 2kwc s THR 56 CO 0.33 -0.19 1.75 0.58 -0.54 0.00 0.00 174.62 176.54 2kwc h VAL 57 N 1.65 0.64 -0.91 2.29 2.07 -0.86 -1.83 116.25 119.29 2kwc h VAL 57 Ca -0.43 -0.21 0.08 0.00 0.82 0.00 0.00 66.70 66.96 2kwc h VAL 57 Cb 1.25 -0.02 -0.11 0.00 -1.52 0.00 0.00 31.29 30.89 2kwc h VAL 57 CO 0.64 0.11 -0.54 0.61 0.02 0.00 0.00 177.57 178.42 2kwc n GLY 58 N -1.33 -2.62 0.27 2.17 0.00 0.13 -0.27 105.19 103.54 2kwc n GLY 58 Ca 0.21 1.13 -0.09 0.00 0.00 0.00 0.00 46.02 47.27 2kwc n GLY 58 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kwc h GLN 59 N 0.00 -0.25 -0.42 1.61 4.20 -1.61 -2.26 115.11 116.38 2kwc h GLN 59 Ca 0.15 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.95 2kwc h GLN 59 Cb 0.37 0.06 -0.09 0.00 0.30 0.00 0.00 27.48 28.12 2kwc h GLN 59 CO -0.85 -0.17 -0.40 0.35 -0.67 0.00 0.00 178.83 177.09 2kwc h PHE 60 N -0.26 -1.14 -1.41 2.96 3.57 -0.64 0.77 116.94 120.79 2kwc h PHE 60 Ca 0.12 0.07 0.41 0.00 3.53 0.00 0.00 57.97 62.10 2kwc h PHE 60 Cb 0.44 0.56 -0.07 0.00 2.79 0.00 0.00 35.95 39.67 2kwc h PHE 60 CO -0.37 -0.42 0.99 0.28 -2.23 0.00 0.00 178.31 176.57 2kwc h VAL 61 N -0.29 0.26 0.03 1.41 2.07 -0.05 0.42 116.25 120.10 2kwc h VAL 61 Ca 0.15 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 2kwc h VAL 61 Cb 0.57 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2kwc h VAL 61 CO -0.58 0.01 -0.24 0.22 0.02 0.00 0.00 177.57 177.00 2kwc h TYR 62 N 0.06 0.12 -0.48 1.57 3.20 0.68 -3.03 116.97 119.08 2kwc h TYR 62 Ca 0.71 -0.08 0.09 0.00 3.14 0.00 0.00 58.73 62.59 2kwc h TYR 62 Cb 2.65 -0.00 -0.10 0.00 1.54 0.00 0.00 36.73 40.82 2kwc h TYR 62 CO -0.00 1.09 -0.30 0.28 -1.64 0.00 0.00 178.16 177.60 2kwc h VAL 63 N -0.86 0.24 -0.55 1.81 2.07 0.27 0.22 116.25 119.45 2kwc h VAL 63 Ca -0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.54 2kwc h VAL 63 Cb 1.15 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 2kwc h VAL 63 CO 0.02 0.00 0.22 0.40 0.02 0.00 0.00 177.57 178.24 2kwc h ILE 64 N -0.18 0.84 -0.04 4.57 5.03 -1.19 0.36 117.51 126.89 2kwc h ILE 64 Ca 0.21 -0.15 0.01 0.00 -0.12 0.00 0.00 64.86 64.81 2kwc h ILE 64 Cb 0.52 0.38 -0.00 0.00 -3.03 0.00 0.00 36.82 34.69 2kwc h ILE 64 CO -0.59 0.08 0.38 -0.09 -0.68 0.00 0.00 178.15 177.25 2kwc h ARG 65 N 0.42 0.00 0.06 2.37 2.43 -0.47 0.25 114.38 119.45 2kwc h ARG 65 Ca 0.27 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.35 2kwc h ARG 65 Cb 0.28 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2kwc h ARG 65 CO -0.25 0.00 -0.40 0.87 -1.51 0.00 0.00 179.97 178.69 2kwc h LYS 66 N 0.00 0.13 -0.23 0.20 1.79 0.62 1.45 116.57 120.53 2kwc h LYS 66 Ca 0.02 -0.23 0.07 0.00 -2.18 0.00 0.00 60.65 58.33 2kwc h LYS 66 Cb 0.78 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.50 2kwc h LYS 66 CO -0.00 1.11 0.20 0.00 -1.08 0.00 0.00 179.45 179.67 2kwc h ARG 67 N -0.72 0.00 0.00 3.15 2.47 -0.21 0.20 114.38 119.27 2kwc h ARG 67 Ca -0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 2kwc h ARG 67 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 2kwc h ARG 67 CO 0.06 0.00 -0.88 0.44 0.56 0.00 0.00 179.97 180.15 2kwc n ILE 68 N -4.12 0.00 -4.26 2.04 -5.35 -0.68 -4.72 119.36 102.27 2kwc n ILE 68 Ca 0.03 -0.23 -0.33 0.00 -0.27 0.00 0.00 62.75 61.95 2kwc n ILE 68 Cb 0.34 0.78 -0.08 0.00 -1.74 0.00 0.00 39.64 38.94 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 -1.48 -0.97 -0.87 6.28 0.00 0.49 -4.88 117.12 115.69 2kwc n MET 69 Ca 0.01 0.11 -0.30 0.00 0.00 0.00 0.00 57.70 57.52 2kwc n MET 69 Cb 0.24 -3.47 0.18 0.00 0.00 0.00 0.00 33.22 30.16 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 -7.38 2.09 0.72 3.17 1.43 -0.87 -5.00 118.68 112.83 2kwc s LEU 70 Ca 0.08 1.73 -0.11 0.00 -1.03 0.00 0.00 54.13 54.80 2kwc s LEU 70 Cb -0.04 -4.01 0.02 0.00 0.03 0.00 0.00 46.19 42.19 2kwc s LEU 70 CO 0.99 -3.18 1.07 -2.16 0.23 0.00 0.00 176.35 173.30 2kwc s PRO 71 N -4.71 2.71 0.00 1.29 0.04 -1.26 -4.94 135.00 128.13 2kwc s PRO 71 Ca 0.66 0.87 0.22 0.00 0.04 0.00 0.00 61.00 62.79 2kwc s PRO 71 Cb -0.21 -1.97 1.03 0.00 0.04 0.00 0.00 34.50 33.39 2kwc s PRO 71 CO 0.59 -1.24 1.72 -0.35 0.04 0.00 0.00 177.00 177.76 2kwc n PRO 72 N -3.21 0.16 0.07 0.56 -0.04 -1.26 -2.27 135.00 129.01 2kwc n PRO 72 Ca 0.07 0.10 0.11 0.00 -0.04 0.00 0.00 63.50 63.75 2kwc n PRO 72 Cb 0.54 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.52 2kwc n PRO 72 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kwc n GLU 73 N -1.40 0.49 -2.49 0.54 -0.58 -1.26 -4.91 120.64 111.03 2kwc n GLU 73 Ca 0.08 0.06 -0.24 0.00 -0.42 0.00 0.00 57.16 56.64 2kwc n GLU 73 Cb 0.22 -1.73 0.11 0.00 -0.57 0.00 0.00 31.44 29.46 2kwc n GLU 73 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2kwc s LYS 74 N -3.31 1.70 -0.25 3.49 1.02 -0.96 -5.11 119.74 116.31 2kwc s LYS 74 Ca 0.01 -0.93 -0.03 0.00 0.02 0.00 0.00 55.97 55.03 2kwc s LYS 74 Cb 0.12 -2.28 0.14 0.00 -0.52 0.00 0.00 37.83 35.29 2kwc s LYS 74 CO 0.79 -1.46 0.45 0.00 -0.92 0.00 0.00 175.35 174.21 2kwc s ALA 75 N -3.19 -1.45 0.22 5.17 0.00 -1.26 -4.92 121.76 116.33 2kwc s ALA 75 Ca 0.66 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.94 2kwc s ALA 75 Cb -0.06 -1.76 -0.03 0.00 0.00 0.00 0.00 23.12 21.26 2kwc s ALA 75 CO 0.45 -1.19 0.37 -1.50 0.00 0.00 0.00 175.76 173.88 2kwc s ILE 76 N 2.65 5.24 0.03 0.00 2.07 -1.26 -4.23 121.20 125.71 2kwc s ILE 76 Ca 0.12 -0.67 0.02 0.00 -1.41 0.00 0.00 60.65 58.71 2kwc s ILE 76 Cb -0.15 -3.79 -0.02 0.00 0.13 0.00 0.00 42.46 38.63 2kwc s ILE 76 CO -0.17 -0.25 -0.08 -0.36 -1.91 0.00 0.00 174.94 172.17 2kwc s PHE 77 N -1.93 0.67 0.10 3.50 0.40 0.76 -4.96 117.98 116.52 2kwc s PHE 77 Ca 0.36 -0.35 -0.05 0.00 -0.60 0.00 0.00 56.93 56.29 2kwc s PHE 77 Cb -0.10 -0.40 -0.05 0.00 0.51 0.00 0.00 43.02 42.97 2kwc s PHE 77 CO 0.30 -0.05 0.34 0.42 0.70 0.00 0.00 175.22 176.93 2kwc s ILE 78 N -0.91 5.22 0.00 0.64 -1.09 -1.26 -0.54 121.20 123.25 2kwc s ILE 78 Ca -0.05 0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.39 2kwc s ILE 78 Cb -0.07 -3.62 -0.00 0.00 -1.58 0.00 0.00 42.46 37.19 2kwc s ILE 78 CO 0.00 0.12 -0.01 -0.36 -1.23 0.00 0.00 174.94 173.47 2kwc s PHE 79 N -1.56 0.05 -0.03 3.97 0.40 0.20 -4.27 117.98 116.74 2kwc s PHE 79 Ca 0.37 -0.09 0.02 0.00 -0.60 0.00 0.00 56.93 56.63 2kwc s PHE 79 Cb -0.13 -0.04 0.01 0.00 0.51 0.00 0.00 43.02 43.38 2kwc s PHE 79 CO 0.23 -0.03 -0.08 0.14 0.70 0.00 0.00 175.22 176.18 2kwc s VAL 80 N -0.25 0.73 -1.51 -0.44 -7.23 -0.80 -0.47 120.40 110.43 2kwc s VAL 80 Ca -0.03 -0.30 -0.10 0.00 -1.81 0.00 0.00 61.98 59.74 2kwc s VAL 80 Cb -0.02 -0.68 0.07 0.00 0.56 0.00 0.00 36.38 36.32 2kwc s VAL 80 CO -0.00 0.24 0.77 0.59 -0.31 0.00 0.00 175.10 176.39 2kwc n ASN 81 N 3.53 -2.88 -3.60 4.85 5.03 -1.26 0.23 115.26 121.16 2kwc n ASN 81 Ca -0.20 -0.89 -0.24 0.00 0.87 0.00 0.00 54.58 54.12 2kwc n ASN 81 Cb 0.53 -3.46 0.08 0.00 -1.02 0.00 0.00 39.78 35.91 2kwc n ASN 81 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2kwc n ASP 82 N -2.86 -5.94 -2.14 6.41 10.43 -1.26 -4.98 116.55 116.21 2kwc n ASP 82 Ca -0.08 -0.56 -0.09 0.00 2.57 0.00 0.00 54.79 56.63 2kwc n ASP 82 Cb 0.58 -5.00 -0.03 0.00 1.84 0.00 0.00 41.12 38.51 2kwc n ASP 82 CO 0.00 0.00 0.00 1.07 -1.07 0.00 0.00 177.20 177.20 2kwc n THR 83 N -4.93 0.00 -3.47 -3.53 5.66 0.14 -4.91 114.28 103.24 2kwc n THR 83 Ca -0.02 -0.93 -0.27 0.00 -3.05 0.00 0.00 64.05 59.78 2kwc n THR 83 Cb 0.57 0.40 -0.12 0.00 -1.55 0.00 0.00 70.33 69.63 2kwc n THR 83 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2kwc s LEU 84 N 0.00 0.66 0.67 1.09 0.20 -1.26 -1.90 118.68 118.15 2kwc s LEU 84 Ca 0.12 -1.78 -0.12 0.00 0.69 0.00 0.00 54.13 53.04 2kwc s LEU 84 Cb 0.01 -0.23 -0.00 0.00 -0.43 0.00 0.00 46.19 45.53 2kwc s LEU 84 CO 0.08 -0.35 1.06 -2.16 -0.29 0.00 0.00 176.35 174.69 2kwc s PRO 85 N 1.48 3.04 0.86 0.98 0.04 -1.26 -5.02 135.00 135.12 2kwc s PRO 85 Ca 0.15 1.00 -0.12 0.00 0.04 0.00 0.00 61.00 62.07 2kwc s PRO 85 Cb -0.20 -2.00 0.11 0.00 0.04 0.00 0.00 34.50 32.45 2kwc s PRO 85 CO -0.12 -1.02 1.12 -1.25 0.04 0.00 0.00 177.00 175.76 2kwc s PRO 86 N -4.83 1.59 0.40 0.56 0.04 -1.26 -4.92 135.00 126.58 2kwc s PRO 86 Ca 0.59 0.45 0.21 0.00 0.04 0.00 0.00 61.00 62.30 2kwc s PRO 86 Cb -0.14 -1.88 0.31 0.00 0.04 0.00 0.00 34.50 32.83 2kwc s PRO 86 CO 0.51 -1.92 1.58 0.00 0.04 0.00 0.00 177.00 177.21 2kwc h THR 87 N -1.30 0.24 -0.00 1.26 1.03 -1.96 -3.17 112.91 109.00 2kwc h THR 87 Ca -0.49 -1.31 -0.22 0.00 -0.01 0.00 0.00 66.41 64.39 2kwc h THR 87 Cb 1.30 2.09 -0.00 0.00 -1.07 0.00 0.00 68.15 70.47 2kwc h THR 87 CO 0.61 0.13 -0.91 0.00 -0.01 0.00 0.00 175.52 175.34 2kwc h ALA 88 N 1.86 0.42 -1.20 0.00 0.00 -1.95 0.44 119.26 118.83 2kwc h ALA 88 Ca -0.00 -0.71 -0.66 0.00 0.00 0.00 0.00 54.91 53.54 2kwc h ALA 88 Cb 1.08 -0.04 0.11 0.00 0.00 0.00 0.00 17.79 18.95 2kwc h ALA 88 CO 0.02 0.84 -0.38 0.00 0.00 0.00 0.00 179.25 179.73 2kwc n ALA 89 N -2.52 -2.36 -2.47 0.00 0.00 -1.20 -4.63 120.51 107.34 2kwc n ALA 89 Ca -0.06 0.43 -0.38 0.00 0.00 0.00 0.00 53.44 53.43 2kwc n ALA 89 Cb 0.82 -1.70 -0.06 0.00 0.00 0.00 0.00 19.45 18.51 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 2.41 4.44 0.18 0.00 2.96 -1.26 -0.82 118.68 126.58 2kwc s LEU 90 Ca 0.64 1.08 0.15 0.00 -0.22 0.00 0.00 54.13 55.78 2kwc s LEU 90 Cb -0.89 -2.79 0.74 0.00 0.50 0.00 0.00 46.19 43.75 2kwc s LEU 90 CO 0.57 0.19 1.47 0.23 -1.32 0.00 0.00 176.35 177.49 2kwc n MET 91 N 2.37 0.09 0.02 1.98 2.81 -0.78 -0.36 117.12 123.24 2kwc n MET 91 Ca -0.10 0.50 -0.22 0.00 -1.81 0.00 0.00 57.70 56.07 2kwc n MET 91 Cb 0.51 -1.75 -0.14 0.00 -0.71 0.00 0.00 33.22 31.13 2kwc n MET 91 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2kwc h SER 92 N 0.00 0.44 -0.11 7.83 0.87 -1.81 -2.81 113.55 117.97 2kwc h SER 92 Ca 0.00 -0.91 -0.22 0.00 -1.23 0.00 0.00 61.79 59.42 2kwc h SER 92 Cb 0.12 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2kwc h SER 92 CO 0.00 1.79 -0.79 0.00 -0.53 0.00 0.00 176.83 177.31 2kwc h ALA 93 N 0.03 0.33 0.68 6.23 0.00 -1.70 -1.36 119.26 123.46 2kwc h ALA 93 Ca -0.39 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 53.88 2kwc h ALA 93 Cb 1.97 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.76 2kwc h ALA 93 CO 0.09 0.69 -0.33 0.82 0.00 0.00 0.00 179.25 180.53 2kwc h ILE 94 N 0.51 0.00 -0.20 0.00 1.08 -0.86 -2.70 117.51 115.34 2kwc h ILE 94 Ca -0.05 -0.21 0.06 0.00 -0.39 0.00 0.00 64.86 64.26 2kwc h ILE 94 Cb 1.42 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 2kwc h ILE 94 CO 0.16 0.00 0.25 0.22 -0.69 0.00 0.00 178.15 178.09 2kwc h TYR 95 N -1.12 0.00 -0.70 1.37 5.03 -1.59 1.48 116.97 121.44 2kwc h TYR 95 Ca -0.09 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.14 2kwc h TYR 95 Cb 0.70 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.95 2kwc h TYR 95 CO 0.02 0.00 0.15 1.96 -1.32 0.00 0.00 178.16 178.97 2kwc h GLN 96 N 0.00 1.13 -0.02 1.82 4.20 -0.97 1.43 115.11 122.70 2kwc h GLN 96 Ca 0.10 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.52 2kwc h GLN 96 Cb 0.60 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2kwc h GLN 96 CO -0.00 1.01 -0.05 0.39 -0.67 0.00 0.00 178.83 179.51 2kwc n GLU 97 N -4.23 1.29 0.00 1.46 1.02 0.21 -4.25 120.64 116.13 2kwc n GLU 97 Ca 0.05 -1.34 0.04 0.00 -0.02 0.00 0.00 57.16 55.89 2kwc n GLU 97 Cb 0.27 -1.29 -0.04 0.00 -0.02 0.00 0.00 31.44 30.35 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 0.73 0.00 -1.60 -0.32 8.25 0.48 -5.02 115.22 117.74 2kwc n HIS 98 Ca 0.09 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.14 2kwc n HIS 98 Cb 0.38 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.51 2kwc n HIS 98 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2kwc n LYS 99 N -1.13 1.20 -3.10 -0.41 0.00 0.49 -4.64 118.16 110.57 2kwc n LYS 99 Ca 0.02 0.44 -0.21 0.00 0.00 0.00 0.00 58.31 58.56 2kwc n LYS 99 Cb 0.14 -2.03 0.06 0.00 0.00 0.00 0.00 35.03 33.21 2kwc n LYS 99 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2kwc s ASP 100 N -0.86 4.98 0.37 3.14 2.15 -1.06 -4.96 116.67 120.43 2kwc s ASP 100 Ca 0.66 -0.95 0.27 0.00 0.43 0.00 0.00 52.55 52.96 2kwc s ASP 100 Cb -0.53 0.47 0.92 0.00 -0.30 0.00 0.00 42.92 43.48 2kwc s ASP 100 CO 0.55 -1.42 1.78 0.11 -0.17 0.00 0.00 175.17 176.02 2kwc h LYS 101 N 0.14 0.00 0.00 4.34 1.57 -1.94 -2.28 116.57 118.40 2kwc h LYS 101 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2kwc h LYS 101 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2kwc h LYS 101 CO 0.41 0.00 -0.73 0.38 -0.57 0.00 0.00 179.45 178.94 2kwc h ASP 102 N 0.00 0.00 0.00 0.86 3.04 -1.95 -3.48 116.42 114.88 2kwc h ASP 102 Ca 0.00 -0.24 0.00 0.00 -3.24 0.00 0.00 57.03 53.55 2kwc h ASP 102 Cb 0.62 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.91 2kwc h ASP 102 CO 0.00 0.12 0.00 0.61 -2.04 0.00 0.00 179.24 177.93 2kwc n GLY 103 N 1.34 2.88 3.08 7.15 0.00 -0.86 -4.48 105.19 114.29 2kwc n GLY 103 Ca 0.03 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.51 -4.38 1.61 3.72 -1.26 -3.90 117.46 110.74 2kwc n PHE 104 Ca 0.00 -0.14 -0.25 0.00 -0.05 0.00 0.00 57.45 57.01 2kwc n PHE 104 Cb 0.00 -1.40 -0.09 0.00 -0.94 0.00 0.00 39.48 37.05 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 -1.45 2.80 -0.32 4.37 2.96 -1.24 -2.57 118.68 123.24 2kwc s LEU 105 Ca 0.43 -0.80 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 2kwc s LEU 105 Cb -0.08 -1.40 0.10 0.00 0.50 0.00 0.00 46.19 45.31 2kwc s LEU 105 CO 0.40 0.06 0.06 -0.72 -1.32 0.00 0.00 176.35 174.83 2kwc s TYR 106 N -2.11 2.73 0.26 5.38 1.13 -1.26 -1.76 117.35 121.72 2kwc s TYR 106 Ca 0.27 -2.32 0.06 0.00 -1.41 0.00 0.00 57.07 53.68 2kwc s TYR 106 Cb -0.07 -2.26 -0.05 0.00 -1.10 0.00 0.00 41.96 38.48 2kwc s TYR 106 CO 0.15 -0.90 -0.07 0.54 -2.51 0.00 0.00 175.55 172.76 2kwc s VAL 107 N 1.26 1.59 -0.11 -3.49 0.11 -1.13 -4.18 120.40 114.47 2kwc s VAL 107 Ca 0.09 -2.13 -0.08 0.00 -2.93 0.00 0.00 61.98 56.92 2kwc s VAL 107 Cb -0.18 -2.36 0.03 0.00 -1.53 0.00 0.00 36.38 32.34 2kwc s VAL 107 CO -0.15 -0.36 0.27 -0.89 -3.33 0.00 0.00 175.10 170.64 2kwc s THR 108 N -3.05 -0.01 0.09 5.04 2.01 0.38 0.92 115.64 121.02 2kwc s THR 108 Ca 0.28 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.38 2kwc s THR 108 Cb 0.03 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 72.11 2kwc s THR 108 CO 0.10 0.02 -0.03 -0.72 -0.69 0.00 0.00 174.62 173.31 2kwc s TYR 109 N 0.54 2.93 -0.09 4.92 -0.85 -1.26 0.59 117.35 124.13 2kwc s TYR 109 Ca -0.03 -0.06 -0.08 0.00 -0.52 0.00 0.00 57.07 56.38 2kwc s TYR 109 Cb -0.05 -1.52 0.02 0.00 0.38 0.00 0.00 41.96 40.80 2kwc s TYR 109 CO -0.03 0.46 0.23 -1.12 -1.52 0.00 0.00 175.55 173.58 2kwc s SER 110 N -2.25 -0.24 0.43 -0.18 0.01 0.29 -3.27 113.70 108.50 2kwc s SER 110 Ca 0.24 0.45 0.27 0.00 1.31 0.00 0.00 55.95 58.23 2kwc s SER 110 Cb -0.12 0.47 1.49 0.00 0.21 0.00 0.00 66.02 68.08 2kwc s SER 110 CO 0.17 -0.09 1.83 1.23 0.41 0.00 0.00 173.24 176.79 2kwc h GLY 111 N 5.74 0.00 -3.25 3.44 0.00 -1.85 0.22 103.07 107.36 2kwc h GLY 111 Ca -0.26 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.54 2kwc h GLY 111 CO 0.36 0.00 -0.55 1.85 0.00 0.00 0.00 176.54 178.20 2kwc s GLU 112 N -3.72 2.87 -1.14 4.80 2.56 -1.26 -4.24 118.70 118.58 2kwc s GLU 112 Ca -0.03 -1.00 -0.03 0.00 0.00 0.00 0.00 54.97 53.91 2kwc s GLU 112 Cb 0.08 -2.57 0.25 0.00 2.00 0.00 0.00 34.13 33.89 2kwc s GLU 112 CO 0.25 0.43 2.01 -1.71 -0.56 0.00 0.00 175.26 175.69 2kwc n ASN 113 N -0.81 7.55 -4.04 -1.70 2.85 -1.26 -4.30 115.26 113.55 2kwc n ASN 113 Ca -0.08 -3.48 -0.11 0.00 -0.11 0.00 0.00 54.58 50.79 2kwc n ASN 113 Cb 0.57 -1.24 -0.11 0.00 1.24 0.00 0.00 39.78 40.23 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 -3.12 0.39 -1.81 -0.44 -4.23 -1.26 -5.02 115.64 100.15 2kwc s THR 114 Ca 0.44 -1.05 0.29 0.00 -1.18 0.00 0.00 61.69 60.19 2kwc s THR 114 Cb 0.18 -0.52 0.51 0.00 1.34 0.00 0.00 72.50 74.02 2kwc s THR 114 CO -0.11 -0.44 1.88 0.49 -0.54 0.00 0.00 174.62 175.90 2kwc n PHE 115 N 1.46 0.00 0.00 3.99 3.72 -1.26 -4.96 117.46 120.41 2kwc n PHE 115 Ca -0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 2kwc n PHE 115 Cb 0.55 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 2kwc n PHE 115 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12