#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 0.26 -4.05 0.03 2.85 -1.26 -5.07 118.16 110.93 2kwc n LYS 2 Ca 0.00 0.11 -0.08 0.00 -1.05 0.00 0.00 58.31 57.29 2kwc n LYS 2 Cb 0.00 -0.98 -0.10 0.00 -0.65 0.00 0.00 35.03 33.30 2kwc n LYS 2 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2kwc s SER 3 N -5.95 0.39 0.46 -5.58 0.01 -1.26 -5.03 113.70 96.74 2kwc s SER 3 Ca -0.17 -0.81 0.26 0.00 1.31 0.00 0.00 55.95 56.54 2kwc s SER 3 Cb 0.06 0.17 0.78 0.00 0.21 0.00 0.00 66.02 67.24 2kwc s SER 3 CO 0.22 -0.49 1.77 0.71 0.41 0.00 0.00 173.24 175.85 2kwc h THR 4 N 3.69 0.26 -0.86 1.44 1.35 -1.99 -3.14 112.91 113.65 2kwc h THR 4 Ca -0.33 -1.03 0.25 0.00 -0.55 0.00 0.00 66.41 64.74 2kwc h THR 4 Cb 1.17 1.84 -0.03 0.00 -1.73 0.00 0.00 68.15 69.39 2kwc h THR 4 CO 0.57 0.12 0.80 2.19 -0.25 0.00 0.00 175.52 178.95 2kwc h PHE 5 N 0.00 0.00 -0.58 4.73 -0.00 -1.93 1.71 116.94 120.87 2kwc h PHE 5 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.97 57.86 2kwc h PHE 5 Cb 0.83 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.76 2kwc h PHE 5 CO 0.00 0.00 -0.06 1.57 -0.00 0.00 0.00 178.31 179.82 2kwc h LYS 6 N 0.00 1.06 0.00 6.09 5.09 -1.74 -2.68 116.57 124.40 2kwc h LYS 6 Ca 0.41 -0.37 0.00 0.00 0.09 0.00 0.00 60.65 60.78 2kwc h LYS 6 Cb 2.01 -0.08 0.00 0.00 0.10 0.00 0.00 32.23 34.26 2kwc h LYS 6 CO -0.00 1.07 -0.24 0.45 -2.09 0.00 0.00 179.45 178.64 2kwc n SER 7 N -4.16 0.50 -0.47 7.07 2.88 0.38 -4.39 113.62 115.43 2kwc n SER 7 Ca 0.02 0.08 0.39 0.00 -1.33 0.00 0.00 58.87 58.04 2kwc n SER 7 Cb 0.38 -0.51 0.66 0.00 -0.75 0.00 0.00 64.21 63.99 2kwc n SER 7 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kwc n GLU 8 N -3.00 -0.03 -3.92 -1.46 4.71 0.49 -2.57 120.64 114.86 2kwc n GLU 8 Ca -0.03 1.18 -0.30 0.00 -0.01 0.00 0.00 57.16 58.00 2kwc n GLU 8 Cb 0.12 -2.36 -0.14 0.00 -1.01 0.00 0.00 31.44 28.05 2kwc n GLU 8 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 2kwc s TYR 9 N -5.14 3.07 0.93 -0.32 2.02 -1.01 -4.98 117.35 111.92 2kwc s TYR 9 Ca -0.07 -2.98 -0.13 0.00 -0.37 0.00 0.00 57.07 53.52 2kwc s TYR 9 Cb 0.29 -2.67 0.15 0.00 -0.40 0.00 0.00 41.96 39.34 2kwc s TYR 9 CO 0.79 -0.79 1.15 -1.25 -1.57 0.00 0.00 175.55 173.87 2kwc s PRO 10 N 0.10 0.97 0.00 -1.71 0.04 -1.06 -4.33 135.00 129.01 2kwc s PRO 10 Ca 0.16 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.42 2kwc s PRO 10 Cb -0.24 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2kwc s PRO 10 CO -0.02 -2.30 0.68 0.34 0.04 0.00 0.00 177.00 175.73 2kwc n PHE 11 N -3.83 0.00 -0.56 0.56 7.35 -1.26 -0.75 117.46 118.97 2kwc n PHE 11 Ca 0.07 0.00 0.44 0.00 -0.76 0.00 0.00 57.45 57.21 2kwc n PHE 11 Cb 0.59 -0.40 0.71 0.00 0.35 0.00 0.00 39.48 40.74 2kwc n PHE 11 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2kwc n GLU 12 N -1.70 -0.02 0.00 -4.13 1.02 -1.26 -0.24 120.64 114.31 2kwc n GLU 12 Ca 0.00 1.13 0.00 0.00 -0.02 0.00 0.00 57.16 58.27 2kwc n GLU 12 Cb 0.00 -2.38 0.00 0.00 -0.02 0.00 0.00 31.44 29.04 2kwc n GLU 12 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2kwc n LYS 13 N -4.27 0.00 -0.34 3.49 3.00 -1.16 -2.80 118.16 116.08 2kwc n LYS 13 Ca 0.41 0.46 0.01 0.00 -0.00 0.00 0.00 58.31 59.19 2kwc n LYS 13 Cb 1.70 -1.18 0.08 0.00 0.00 0.00 0.00 35.03 35.63 2kwc n LYS 13 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2kwc h ARG 14 N 0.00 -0.02 -0.78 1.64 2.43 0.13 0.46 114.38 118.25 2kwc h ARG 14 Ca 0.00 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.29 2kwc h ARG 14 Cb 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.42 2kwc h ARG 14 CO 0.00 -0.01 -0.40 -0.22 -1.51 0.00 0.00 179.97 177.83 2kwc h LYS 15 N -0.02 -0.10 -0.50 0.20 3.64 -0.72 0.65 116.57 119.72 2kwc h LYS 15 Ca 0.39 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.86 2kwc h LYS 15 Cb 0.64 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.41 2kwc h LYS 15 CO -0.95 -0.07 0.10 0.00 -2.27 0.00 0.00 179.45 176.26 2kwc h ALA 16 N 1.02 0.56 -0.71 5.00 0.00 0.06 0.14 119.26 125.33 2kwc h ALA 16 Ca 0.26 0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.43 2kwc h ALA 16 Cb 0.56 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.38 2kwc h ALA 16 CO -0.82 -0.31 0.06 1.49 0.00 0.00 0.00 179.25 179.67 2kwc h GLU 17 N 0.23 0.15 -0.30 0.00 4.81 0.13 0.10 114.58 119.70 2kwc h GLU 17 Ca 0.25 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.41 2kwc h GLU 17 Cb 0.34 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2kwc h GLU 17 CO -0.33 0.10 -0.05 1.03 -0.73 0.00 0.00 179.01 179.03 2kwc h SER 18 N 0.16 0.58 -0.51 1.04 0.87 0.46 -2.42 113.55 113.73 2kwc h SER 18 Ca 0.39 -0.35 0.15 0.00 -1.23 0.00 0.00 61.79 60.74 2kwc h SER 18 Cb 0.66 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 2kwc h SER 18 CO -0.57 0.79 0.47 -0.33 -0.53 0.00 0.00 176.83 176.65 2kwc h GLU 19 N 0.35 0.00 0.19 2.24 4.39 0.16 0.83 114.58 122.73 2kwc h GLU 19 Ca 0.08 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.47 2kwc h GLU 19 Cb 0.53 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.20 2kwc h GLU 19 CO 0.03 0.00 -1.36 0.00 -1.16 0.00 0.00 179.01 176.52 2kwc h ARG 20 N 0.00 0.45 0.00 2.33 3.08 -0.56 -2.49 114.38 117.19 2kwc h ARG 20 Ca 0.24 -0.74 -0.03 0.00 0.07 0.00 0.00 59.98 59.52 2kwc h ARG 20 Cb 1.17 0.27 -0.00 0.00 0.08 0.00 0.00 29.97 31.49 2kwc h ARG 20 CO -0.00 1.35 -0.17 0.82 -1.07 0.00 0.00 179.97 180.90 2kwc h ILE 21 N 0.14 0.32 0.00 2.04 2.04 0.02 -0.05 117.51 122.02 2kwc h ILE 21 Ca -0.20 -1.23 -0.12 0.00 1.00 0.00 0.00 64.86 64.31 2kwc h ILE 21 Cb 2.06 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 40.09 2kwc h ILE 21 CO 0.24 0.16 -0.62 0.00 0.00 0.00 0.00 178.15 177.94 2kwc h ALA 22 N 1.83 0.65 0.00 1.87 0.00 0.44 0.39 119.26 124.45 2kwc h ALA 22 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2kwc h ALA 22 Cb 0.95 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2kwc h ALA 22 CO 0.02 0.68 -1.09 -3.47 0.00 0.00 0.00 179.25 175.39 2kwc n ASP 23 N -3.19 0.59 -0.04 0.00 -0.08 -0.94 -3.86 116.55 109.03 2kwc n ASP 23 Ca 0.01 -0.14 -0.04 0.00 -1.51 0.00 0.00 54.79 53.11 2kwc n ASP 23 Cb 0.75 0.84 -0.01 0.00 2.34 0.00 0.00 41.12 45.04 2kwc n ASP 23 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2kwc n ARG 24 N -2.06 0.26 -3.89 -0.67 0.00 -0.05 -4.85 116.66 105.39 2kwc n ARG 24 Ca 0.01 0.10 -0.28 0.00 -0.00 0.00 0.00 57.85 57.69 2kwc n ARG 24 Cb 0.46 -0.95 -0.12 0.00 0.00 0.00 0.00 32.46 31.85 2kwc n ARG 24 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2kwc s PHE 25 N -1.96 3.53 -1.10 -0.14 0.08 0.14 -4.88 117.98 113.65 2kwc s PHE 25 Ca -0.14 -3.32 0.22 0.00 0.12 0.00 0.00 56.93 53.80 2kwc s PHE 25 Cb 0.02 -2.67 0.98 0.00 -0.57 0.00 0.00 43.02 40.78 2kwc s PHE 25 CO 0.21 -0.55 1.71 -0.35 -0.10 0.00 0.00 175.22 176.14 2kwc n PRO 26 N 1.98 0.08 -0.56 0.24 -0.04 -1.19 -2.23 135.00 133.28 2kwc n PRO 26 Ca 0.20 0.11 0.07 0.00 -0.04 0.00 0.00 63.50 63.84 2kwc n PRO 26 Cb 0.35 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.45 4.20 -4.84 3.54 4.13 -1.26 -4.91 115.26 114.66 2kwc n ASN 27 Ca 0.07 -2.46 -0.31 0.00 1.68 0.00 0.00 54.58 53.56 2kwc n ASN 27 Cb 0.24 -0.55 -0.04 0.00 -1.54 0.00 0.00 39.78 37.88 2kwc n ASN 27 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2kwc s ARG 28 N -1.95 2.23 -0.38 3.52 1.81 -0.95 -3.39 118.95 119.85 2kwc s ARG 28 Ca 0.42 -2.28 0.04 0.00 -1.72 0.00 0.00 55.73 52.19 2kwc s ARG 28 Cb 0.29 -1.76 0.16 0.00 -0.45 0.00 0.00 34.95 33.18 2kwc s ARG 28 CO 0.18 -0.53 0.42 0.42 -0.68 0.00 0.00 175.30 175.11 2kwc s ILE 29 N -2.86 -0.45 -0.85 1.52 1.01 0.49 -4.73 121.20 115.33 2kwc s ILE 29 Ca 0.15 -0.82 -0.25 0.00 0.00 0.00 0.00 60.65 59.73 2kwc s ILE 29 Cb -0.01 -0.56 0.00 0.00 0.01 0.00 0.00 42.46 41.90 2kwc s ILE 29 CO 0.09 -0.48 1.64 -2.16 0.00 0.00 0.00 174.94 174.03 2kwc s PRO 30 N 1.51 3.02 -0.11 2.79 0.04 -1.25 -2.55 135.00 138.45 2kwc s PRO 30 Ca 0.17 -0.35 -0.18 0.00 0.04 0.00 0.00 61.00 60.67 2kwc s PRO 30 Cb -0.13 -4.83 -0.04 0.00 0.04 0.00 0.00 34.50 29.53 2kwc s PRO 30 CO -0.04 -2.64 0.48 0.08 0.04 0.00 0.00 177.00 174.92 2kwc s VAL 31 N 7.42 5.17 -0.79 -0.36 1.01 0.68 -3.70 120.40 129.83 2kwc s VAL 31 Ca 0.55 0.97 -0.15 0.00 0.00 0.00 0.00 61.98 63.34 2kwc s VAL 31 Cb -0.06 -3.82 0.19 0.00 0.00 0.00 0.00 36.38 32.69 2kwc s VAL 31 CO 0.04 0.34 0.79 -0.63 0.00 0.00 0.00 175.10 175.63 2kwc s ILE 32 N 0.53 5.37 0.05 2.22 -1.09 0.14 -1.70 121.20 126.71 2kwc s ILE 32 Ca 0.26 -2.10 -0.19 0.00 -2.23 0.00 0.00 60.65 56.39 2kwc s ILE 32 Cb -0.15 -4.50 -0.06 0.00 -1.58 0.00 0.00 42.46 36.16 2kwc s ILE 32 CO 0.11 -1.09 0.57 0.00 -1.23 0.00 0.00 174.94 173.30 2kwc s GLU 34 N -0.85 1.16 0.33 0.00 -1.05 -0.68 -4.67 118.70 112.93 2kwc s GLU 34 Ca 0.29 -0.60 -0.27 0.00 -0.15 0.00 0.00 54.97 54.24 2kwc s GLU 34 Cb -0.19 -1.14 -0.09 0.00 -0.44 0.00 0.00 34.13 32.27 2kwc s GLU 34 CO 0.18 0.31 1.03 0.21 0.95 0.00 0.00 175.26 177.93 2kwc s LYS 35 N -0.56 4.49 0.06 -4.83 2.36 -1.26 -1.13 119.74 118.86 2kwc s LYS 35 Ca 0.05 1.55 -0.27 0.00 -2.55 0.00 0.00 55.97 54.76 2kwc s LYS 35 Cb -0.06 -2.88 -0.05 0.00 -1.05 0.00 0.00 37.83 33.78 2kwc s LYS 35 CO -0.00 0.14 0.83 0.00 1.55 0.00 0.00 175.35 177.87 2kwc s ALA 36 N -1.44 3.32 0.07 3.13 0.00 -0.55 -4.87 121.76 121.41 2kwc s ALA 36 Ca 0.50 0.38 -0.20 0.00 0.00 0.00 0.00 51.96 52.64 2kwc s ALA 36 Cb -0.25 -3.10 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 2kwc s ALA 36 CO 0.31 0.01 1.49 1.05 0.00 0.00 0.00 175.76 178.62 2kwc h GLU 37 N 5.75 0.38 -0.76 0.00 4.11 -1.95 -2.44 114.58 119.67 2kwc h GLU 37 Ca -0.43 -0.13 0.22 0.00 0.07 0.00 0.00 59.36 59.09 2kwc h GLU 37 Cb 1.21 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 2kwc h GLU 37 CO 0.72 0.59 0.63 0.87 0.07 0.00 0.00 179.01 181.89 2kwc h LYS 38 N 0.12 0.00 0.00 1.06 1.79 -2.00 -3.41 116.57 114.13 2kwc h LYS 38 Ca 0.06 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.28 2kwc h LYS 38 Cb 0.44 0.00 0.14 0.00 -1.58 0.00 0.00 32.23 31.22 2kwc h LYS 38 CO 0.01 0.00 -0.03 0.45 -1.08 0.00 0.00 179.45 178.80 2kwc n SER 39 N -3.99 -2.70 -0.21 0.86 2.88 -0.92 -4.99 113.62 104.55 2kwc n SER 39 Ca 0.15 -0.73 0.02 0.00 -1.33 0.00 0.00 58.87 56.98 2kwc n SER 39 Cb 0.90 -0.66 0.03 0.00 -0.75 0.00 0.00 64.21 63.74 2kwc n SER 39 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kwc n ASP 40 N -4.59 0.74 -4.86 -3.46 9.92 -1.26 -5.04 116.55 107.99 2kwc n ASP 40 Ca 0.09 -1.95 -0.31 0.00 -0.53 0.00 0.00 54.79 52.10 2kwc n ASP 40 Cb 0.39 -0.16 -0.03 0.00 -0.64 0.00 0.00 41.12 40.67 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 -0.71 4.71 0.07 0.53 -4.36 -1.26 -5.03 121.20 115.15 2kwc s ILE 41 Ca 0.06 0.81 -0.30 0.00 -0.26 0.00 0.00 60.65 60.95 2kwc s ILE 41 Cb 0.06 -3.72 -0.05 0.00 1.25 0.00 0.00 42.46 39.99 2kwc s ILE 41 CO 0.01 -0.56 1.16 -2.16 0.24 0.00 0.00 174.94 173.63 2kwc s PRO 42 N -3.89 4.46 1.17 0.37 0.04 -1.26 -5.02 135.00 130.88 2kwc s PRO 42 Ca 0.54 1.72 -0.14 0.00 0.04 0.00 0.00 61.00 63.16 2kwc s PRO 42 Cb -0.10 -3.35 0.28 0.00 0.04 0.00 0.00 34.50 31.36 2kwc s PRO 42 CO 0.31 -0.20 1.03 -2.00 0.04 0.00 0.00 177.00 176.18 2kwc s GLU 43 N 0.90 -0.93 0.29 4.56 2.12 -1.26 -4.91 118.70 119.47 2kwc s GLU 43 Ca 0.57 0.64 0.02 0.00 0.36 0.00 0.00 54.97 56.57 2kwc s GLU 43 Cb -0.28 -1.57 0.02 0.00 0.26 0.00 0.00 34.13 32.56 2kwc s GLU 43 CO 0.30 -3.68 0.20 0.44 -0.54 0.00 0.00 175.26 171.97 2kwc n ILE 44 N -4.86 0.00 -0.07 -3.70 -5.35 -1.26 -4.97 119.36 99.15 2kwc n ILE 44 Ca 0.04 -1.16 -0.10 0.00 -0.27 0.00 0.00 62.75 61.26 2kwc n ILE 44 Cb 0.56 -0.21 -0.09 0.00 -1.74 0.00 0.00 39.64 38.16 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 0.37 0.00 -5.18 7.28 5.19 -1.97 -3.48 116.42 118.63 2kwc h ASP 45 Ca -0.19 -0.62 -0.12 0.00 -0.62 0.00 0.00 57.03 55.49 2kwc h ASP 45 Cb 0.67 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 40.03 2kwc h ASP 45 CO 0.30 0.88 -0.60 -0.75 -3.12 0.00 0.00 179.24 175.94 2kwc s LYS 46 N -2.03 0.62 -0.44 3.56 2.47 -1.26 -5.12 119.74 117.54 2kwc s LYS 46 Ca -0.14 -1.06 -0.08 0.00 -1.56 0.00 0.00 55.97 53.13 2kwc s LYS 46 Cb -0.01 0.23 0.10 0.00 -1.46 0.00 0.00 37.83 36.69 2kwc s LYS 46 CO 0.46 -0.14 0.29 1.03 0.16 0.00 0.00 175.35 177.14 2kwc s ARG 47 N -3.53 2.45 -0.27 4.03 0.52 -1.26 -5.02 118.95 115.86 2kwc s ARG 47 Ca 0.03 -1.66 -0.12 0.00 -0.52 0.00 0.00 55.73 53.46 2kwc s ARG 47 Cb 0.05 -3.81 0.10 0.00 0.52 0.00 0.00 34.95 31.81 2kwc s ARG 47 CO -0.09 -1.08 0.63 0.21 0.02 0.00 0.00 175.30 174.99 2kwc s LYS 48 N 1.35 0.59 -0.33 3.54 2.20 -1.26 -4.72 119.74 121.12 2kwc s LYS 48 Ca 0.05 1.29 -0.01 0.00 -0.36 0.00 0.00 55.97 56.94 2kwc s LYS 48 Cb -0.24 0.49 0.11 0.00 -1.51 0.00 0.00 37.83 36.68 2kwc s LYS 48 CO -0.00 -0.18 0.14 0.71 -0.36 0.00 0.00 175.35 175.66 2kwc s TYR 49 N 2.30 1.22 -0.82 4.03 1.51 -0.69 -4.99 117.35 119.90 2kwc s TYR 49 Ca -0.07 -1.58 -0.17 0.00 -1.01 0.00 0.00 57.07 54.24 2kwc s TYR 49 Cb -0.09 -1.40 0.16 0.00 -0.11 0.00 0.00 41.96 40.51 2kwc s TYR 49 CO -0.18 -0.85 0.91 -0.51 -1.11 0.00 0.00 175.55 173.81 2kwc s LEU 50 N 1.50 5.73 0.20 -1.29 1.43 -1.26 -0.23 118.68 124.75 2kwc s LEU 50 Ca 0.12 -2.13 0.09 0.00 -1.03 0.00 0.00 54.13 51.17 2kwc s LEU 50 Cb -0.19 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 2kwc s LEU 50 CO -0.21 -0.90 -0.05 0.68 0.23 0.00 0.00 176.35 176.09 2kwc s VAL 51 N 1.80 3.37 0.98 -1.59 -7.23 -1.06 -4.85 120.40 111.83 2kwc s VAL 51 Ca 0.23 -1.65 -0.14 0.00 -1.81 0.00 0.00 61.98 58.60 2kwc s VAL 51 Cb -0.11 -2.71 0.18 0.00 0.56 0.00 0.00 36.38 34.31 2kwc s VAL 51 CO -0.06 -0.17 1.17 -2.16 -0.31 0.00 0.00 175.10 173.58 2kwc s PRO 52 N -3.03 0.56 -0.08 4.82 0.04 -1.26 0.18 135.00 136.23 2kwc s PRO 52 Ca 0.27 0.07 0.08 0.00 0.04 0.00 0.00 61.00 61.46 2kwc s PRO 52 Cb -0.08 -1.79 0.36 0.00 0.04 0.00 0.00 34.50 33.03 2kwc s PRO 52 CO 0.17 -2.55 1.13 0.00 0.04 0.00 0.00 177.00 175.79 2kwc n ALA 53 N -3.97 2.96 0.22 8.56 0.00 -1.22 -3.17 120.51 123.89 2kwc n ALA 53 Ca 0.10 -0.81 0.02 0.00 0.00 0.00 0.00 53.44 52.74 2kwc n ALA 53 Cb 0.59 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.99 2kwc n ALA 53 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kwc n ASP 54 N 0.35 0.33 -4.87 0.00 2.03 -1.26 -4.46 116.55 108.67 2kwc n ASP 54 Ca 0.13 -0.67 -0.30 0.00 0.52 0.00 0.00 54.79 54.47 2kwc n ASP 54 Cb 0.58 0.90 -0.02 0.00 -0.72 0.00 0.00 41.12 41.87 2kwc n ASP 54 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2kwc s LEU 55 N -2.05 3.61 0.27 -2.67 0.20 -1.19 -4.98 118.68 111.87 2kwc s LEU 55 Ca 0.02 1.26 0.09 0.00 0.69 0.00 0.00 54.13 56.18 2kwc s LEU 55 Cb 0.04 -4.20 -0.04 0.00 -0.43 0.00 0.00 46.19 41.56 2kwc s LEU 55 CO 0.18 -0.58 0.08 0.42 -0.29 0.00 0.00 176.35 176.16 2kwc s THR 56 N -2.68 3.80 0.18 3.68 -4.23 -1.26 -2.42 115.64 112.72 2kwc s THR 56 Ca 0.53 -1.71 -0.16 0.00 -1.18 0.00 0.00 61.69 59.18 2kwc s THR 56 Cb -0.10 -3.06 0.15 0.00 1.34 0.00 0.00 72.50 70.83 2kwc s THR 56 CO 0.39 -0.35 1.65 0.58 -0.54 0.00 0.00 174.62 176.35 2kwc h VAL 57 N 1.71 0.50 -0.85 2.29 2.07 -1.07 -2.00 116.25 118.92 2kwc h VAL 57 Ca -0.46 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.14 2kwc h VAL 57 Cb 1.25 0.50 -0.10 0.00 -1.52 0.00 0.00 31.29 31.42 2kwc h VAL 57 CO 0.61 0.00 -0.50 0.61 0.02 0.00 0.00 177.57 178.31 2kwc n GLY 58 N -1.36 -2.53 0.32 2.17 0.00 -0.65 0.10 105.19 103.25 2kwc n GLY 58 Ca 0.04 1.07 0.16 0.00 0.00 0.00 0.00 46.02 47.29 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 0.11 0.42 1.61 1.08 -1.64 -0.25 115.11 116.44 2kwc h GLN 59 Ca 0.14 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 2kwc h GLN 59 Cb 0.35 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 2kwc h GLN 59 CO -0.80 0.08 -0.39 0.35 -0.95 0.00 0.00 178.83 177.12 2kwc h PHE 60 N 0.12 -1.08 -1.67 2.96 3.04 0.74 0.21 116.94 121.26 2kwc h PHE 60 Ca 0.60 0.01 0.52 0.00 3.98 0.00 0.00 57.97 63.08 2kwc h PHE 60 Cb 1.28 0.42 -0.11 0.00 2.56 0.00 0.00 35.95 40.10 2kwc h PHE 60 CO -0.31 -0.53 1.15 0.28 -2.02 0.00 0.00 178.31 176.88 2kwc h VAL 61 N -0.80 0.03 0.02 1.41 2.07 -0.32 1.18 116.25 119.84 2kwc h VAL 61 Ca -0.05 -0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 2kwc h VAL 61 Cb 0.69 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2kwc h VAL 61 CO -0.03 0.00 -0.24 0.22 0.02 0.00 0.00 177.57 177.54 2kwc h TYR 62 N 0.01 0.20 -0.55 1.57 3.20 -0.67 -3.10 116.97 117.63 2kwc h TYR 62 Ca 0.90 -0.12 0.09 0.00 3.14 0.00 0.00 58.73 62.74 2kwc h TYR 62 Cb 3.27 -0.02 -0.11 0.00 1.54 0.00 0.00 36.73 41.42 2kwc h TYR 62 CO -0.00 1.01 -0.38 0.28 -1.64 0.00 0.00 178.16 177.43 2kwc h VAL 63 N -0.67 0.14 -0.32 1.81 2.07 0.45 0.13 116.25 119.86 2kwc h VAL 63 Ca -0.04 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.56 2kwc h VAL 63 Cb 1.09 0.14 -0.08 0.00 -1.52 0.00 0.00 31.29 30.93 2kwc h VAL 63 CO 0.05 0.00 -0.20 0.40 0.02 0.00 0.00 177.57 177.84 2kwc h ILE 64 N -0.21 0.44 -0.81 4.57 5.03 -1.38 0.51 117.51 125.66 2kwc h ILE 64 Ca 0.20 0.00 0.24 0.00 -0.12 0.00 0.00 64.86 65.18 2kwc h ILE 64 Cb 0.56 0.44 -0.03 0.00 -3.03 0.00 0.00 36.82 34.76 2kwc h ILE 64 CO -0.66 0.00 0.90 -0.09 -0.68 0.00 0.00 178.15 177.62 2kwc h ARG 65 N -0.16 0.00 0.17 2.37 2.43 -0.69 1.39 114.38 119.89 2kwc h ARG 65 Ca 0.16 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 59.07 2kwc h ARG 65 Cb 0.42 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.99 2kwc h ARG 65 CO -0.42 0.00 -1.21 0.87 -1.51 0.00 0.00 179.97 177.71 2kwc h LYS 66 N 0.00 0.37 0.00 0.20 1.79 0.69 1.46 116.57 121.08 2kwc h LYS 66 Ca 0.39 -0.63 -0.00 0.00 -2.18 0.00 0.00 60.65 58.22 2kwc h LYS 66 Cb 2.19 0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 33.07 2kwc h LYS 66 CO -0.00 1.30 -0.01 0.00 -1.08 0.00 0.00 179.45 179.65 2kwc h ARG 67 N -0.17 0.00 -0.00 3.15 -0.00 0.25 -1.25 114.38 116.36 2kwc h ARG 67 Ca -0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.25 2kwc h ARG 67 Cb 1.86 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.83 2kwc h ARG 67 CO 0.17 0.01 -0.10 0.44 0.00 0.00 0.00 179.97 180.49 2kwc n ILE 68 N -3.61 0.00 -4.28 2.04 -5.35 -0.18 -4.88 119.36 103.10 2kwc n ILE 68 Ca -0.03 -0.45 -0.31 0.00 -0.27 0.00 0.00 62.75 61.69 2kwc n ILE 68 Cb 0.10 1.04 -0.09 0.00 -1.74 0.00 0.00 39.64 38.95 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 -0.54 -1.27 -1.30 6.28 0.00 0.49 -4.88 117.12 115.90 2kwc n MET 69 Ca 0.01 0.14 -0.32 0.00 0.00 0.00 0.00 57.70 57.54 2kwc n MET 69 Cb 0.08 -3.77 0.09 0.00 0.00 0.00 0.00 33.22 29.61 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 -7.33 3.09 0.90 3.17 1.02 -0.32 -5.00 118.68 114.22 2kwc s LEU 70 Ca 0.05 1.91 -0.12 0.00 0.02 0.00 0.00 54.13 55.99 2kwc s LEU 70 Cb -0.03 -4.53 0.13 0.00 0.02 0.00 0.00 46.19 41.78 2kwc s LEU 70 CO 0.99 -2.08 1.13 -2.16 0.02 0.00 0.00 176.35 174.25 2kwc s PRO 71 N -4.68 1.25 0.00 1.29 0.04 -1.26 -4.92 135.00 126.71 2kwc s PRO 71 Ca 0.63 0.33 0.23 0.00 0.04 0.00 0.00 61.00 62.24 2kwc s PRO 71 Cb -0.19 -1.85 1.38 0.00 0.04 0.00 0.00 34.50 33.88 2kwc s PRO 71 CO 0.53 -2.13 1.75 -0.35 0.04 0.00 0.00 177.00 176.84 2kwc n PRO 72 N -3.73 0.75 -0.07 0.56 -0.04 -1.26 -2.74 135.00 128.47 2kwc n PRO 72 Ca 0.07 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.35 2kwc n PRO 72 Cb 0.59 -1.48 -0.13 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.98 0.69 -0.39 0.54 0.28 -1.26 -4.96 120.64 114.56 2kwc n GLU 73 Ca 0.17 0.18 -0.30 0.00 -0.16 0.00 0.00 57.16 57.06 2kwc n GLU 73 Cb 0.08 -1.61 0.28 0.00 1.43 0.00 0.00 31.44 31.62 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 -2.54 -2.67 -0.26 3.44 1.02 -1.11 -5.06 119.74 112.57 2kwc s LYS 74 Ca -0.26 0.26 -0.08 0.00 0.02 0.00 0.00 55.97 55.91 2kwc s LYS 74 Cb 0.08 -1.40 0.12 0.00 -0.52 0.00 0.00 37.83 36.11 2kwc s LYS 74 CO 0.70 -4.73 0.55 0.00 -0.92 0.00 0.00 175.35 170.95 2kwc s ALA 75 N -2.29 -1.68 0.18 5.17 0.00 -1.26 -4.95 121.76 116.93 2kwc s ALA 75 Ca 0.69 1.95 0.08 0.00 0.00 0.00 0.00 51.96 54.67 2kwc s ALA 75 Cb -0.15 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 2kwc s ALA 75 CO 0.59 -0.89 -0.04 -1.50 0.00 0.00 0.00 175.76 173.92 2kwc s ILE 76 N 2.77 3.50 0.04 0.00 2.07 -1.26 -3.91 121.20 124.40 2kwc s ILE 76 Ca -0.02 -1.53 -0.01 0.00 -1.41 0.00 0.00 60.65 57.68 2kwc s ILE 76 Cb -0.12 -2.75 -0.03 0.00 0.13 0.00 0.00 42.46 39.69 2kwc s ILE 76 CO -0.17 -0.11 -0.02 -0.36 -1.91 0.00 0.00 174.94 172.37 2kwc s PHE 77 N -1.73 0.38 0.04 3.50 0.08 0.14 -4.97 117.98 115.43 2kwc s PHE 77 Ca 0.26 -0.79 0.04 0.00 0.12 0.00 0.00 56.93 56.57 2kwc s PHE 77 Cb -0.09 -0.28 -0.04 0.00 -0.57 0.00 0.00 43.02 42.04 2kwc s PHE 77 CO 0.17 -0.29 -0.05 0.42 -0.10 0.00 0.00 175.22 175.37 2kwc s ILE 78 N -2.71 3.74 -0.05 0.64 -1.09 -1.26 -1.16 121.20 119.30 2kwc s ILE 78 Ca -0.04 -0.89 -0.01 0.00 -2.23 0.00 0.00 60.65 57.47 2kwc s ILE 78 Cb -0.01 -2.69 0.03 0.00 -1.58 0.00 0.00 42.46 38.21 2kwc s ILE 78 CO -0.06 0.28 0.02 -0.36 -1.23 0.00 0.00 174.94 173.59 2kwc s PHE 79 N -1.12 0.39 -0.16 3.97 0.40 0.26 -4.54 117.98 117.18 2kwc s PHE 79 Ca 0.20 0.02 -0.01 0.00 -0.60 0.00 0.00 56.93 56.54 2kwc s PHE 79 Cb -0.11 -0.62 -0.01 0.00 0.51 0.00 0.00 43.02 42.79 2kwc s PHE 79 CO 0.11 -0.24 -0.12 0.14 0.70 0.00 0.00 175.22 175.81 2kwc s VAL 80 N 1.89 3.03 -1.25 -0.44 -7.23 -1.04 -0.62 120.40 114.75 2kwc s VAL 80 Ca 0.03 -0.65 -0.07 0.00 -1.81 0.00 0.00 61.98 59.47 2kwc s VAL 80 Cb -0.12 -2.30 -0.01 0.00 0.56 0.00 0.00 36.38 34.51 2kwc s VAL 80 CO -0.04 0.50 0.70 0.59 -0.31 0.00 0.00 175.10 176.54 2kwc n ASN 81 N 3.92 -2.83 -4.06 4.85 3.02 -1.26 -0.85 115.26 118.04 2kwc n ASN 81 Ca -0.18 -0.91 -0.30 0.00 -0.03 0.00 0.00 54.58 53.15 2kwc n ASN 81 Cb 0.52 -3.75 -0.02 0.00 -0.61 0.00 0.00 39.78 35.92 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 -2.93 -2.12 -1.94 6.41 2.03 -1.26 -4.92 116.55 111.81 2kwc n ASP 82 Ca -0.21 -0.98 -0.08 0.00 0.52 0.00 0.00 54.79 54.04 2kwc n ASP 82 Cb 0.65 -3.05 -0.03 0.00 -0.72 0.00 0.00 41.12 37.97 2kwc n ASP 82 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2kwc n THR 83 N -4.43 0.00 -3.39 5.18 5.66 -0.03 -5.06 114.28 112.20 2kwc n THR 83 Ca -0.11 -0.91 -0.19 0.00 -3.05 0.00 0.00 64.05 59.79 2kwc n THR 83 Cb 0.59 0.43 -0.09 0.00 -1.55 0.00 0.00 70.33 69.71 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 0.07 0.76 1.09 2.96 -1.26 -2.49 118.68 119.82 2kwc s LEU 84 Ca 0.14 -1.50 -0.11 0.00 -0.22 0.00 0.00 54.13 52.43 2kwc s LEU 84 Cb 0.01 0.38 0.05 0.00 0.50 0.00 0.00 46.19 47.13 2kwc s LEU 84 CO 0.10 -0.30 1.08 -2.16 -1.32 0.00 0.00 176.35 173.75 2kwc s PRO 85 N 1.58 2.40 0.90 0.98 0.04 -1.26 -5.04 135.00 134.60 2kwc s PRO 85 Ca 0.15 0.75 -0.12 0.00 0.04 0.00 0.00 61.00 61.82 2kwc s PRO 85 Cb -0.16 -1.94 0.13 0.00 0.04 0.00 0.00 34.50 32.57 2kwc s PRO 85 CO -0.10 -1.43 1.14 -1.25 0.04 0.00 0.00 177.00 175.40 2kwc s PRO 86 N -5.12 1.20 0.35 0.56 0.04 -1.26 -4.97 135.00 125.80 2kwc s PRO 86 Ca 0.60 0.31 0.19 0.00 0.04 0.00 0.00 61.00 62.13 2kwc s PRO 86 Cb -0.14 -1.84 0.18 0.00 0.04 0.00 0.00 34.50 32.74 2kwc s PRO 86 CO 0.54 -2.16 1.50 0.00 0.04 0.00 0.00 177.00 176.92 2kwc h THR 87 N -1.47 0.45 -0.01 1.26 1.03 -1.96 -3.19 112.91 109.01 2kwc h THR 87 Ca -0.50 -1.63 -0.21 0.00 -0.01 0.00 0.00 66.41 64.06 2kwc h THR 87 Cb 1.33 2.21 -0.00 0.00 -1.07 0.00 0.00 68.15 70.61 2kwc h THR 87 CO 0.62 0.25 -0.88 0.00 -0.01 0.00 0.00 175.52 175.50 2kwc h ALA 88 N 1.74 0.47 -1.05 0.00 0.00 -1.95 -1.67 119.26 116.79 2kwc h ALA 88 Ca -0.01 -0.70 -0.69 0.00 0.00 0.00 0.00 54.91 53.51 2kwc h ALA 88 Cb 1.21 -0.05 0.10 0.00 0.00 0.00 0.00 17.79 19.04 2kwc h ALA 88 CO 0.03 0.85 -0.36 0.00 0.00 0.00 0.00 179.25 179.78 2kwc n ALA 89 N -2.50 -2.91 -2.41 0.00 0.00 -1.21 -4.63 120.51 106.86 2kwc n ALA 89 Ca -0.05 0.47 -0.39 0.00 0.00 0.00 0.00 53.44 53.48 2kwc n ALA 89 Cb 0.80 -1.67 -0.06 0.00 0.00 0.00 0.00 19.45 18.53 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 2.22 4.46 0.07 0.00 2.96 -1.26 -1.44 118.68 125.69 2kwc s LEU 90 Ca 0.70 1.17 0.10 0.00 -0.22 0.00 0.00 54.13 55.88 2kwc s LEU 90 Cb -0.99 -2.87 0.45 0.00 0.50 0.00 0.00 46.19 43.28 2kwc s LEU 90 CO 0.56 0.19 1.31 0.23 -1.32 0.00 0.00 176.35 177.32 2kwc n MET 91 N 2.26 0.04 -0.02 1.98 2.81 -1.01 -0.30 117.12 122.88 2kwc n MET 91 Ca -0.09 0.44 -0.22 0.00 -1.81 0.00 0.00 57.70 56.02 2kwc n MET 91 Cb 0.51 -1.61 -0.13 0.00 -0.71 0.00 0.00 33.22 31.28 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 0.32 0.08 7.83 0.87 -1.82 -2.85 113.55 117.98 2kwc h SER 92 Ca 0.00 -0.84 -0.20 0.00 -1.23 0.00 0.00 61.79 59.52 2kwc h SER 92 Cb 0.11 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2kwc h SER 92 CO 0.00 1.77 -0.75 0.00 -0.53 0.00 0.00 176.83 177.32 2kwc h ALA 93 N -0.07 0.48 0.56 6.23 0.00 -1.71 -1.19 119.26 123.56 2kwc h ALA 93 Ca -0.40 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 53.88 2kwc h ALA 93 Cb 1.85 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.61 2kwc h ALA 93 CO 0.02 0.73 -0.27 0.82 0.00 0.00 0.00 179.25 180.54 2kwc h ILE 94 N 0.39 0.00 -0.12 0.00 1.08 -0.83 -2.80 117.51 115.23 2kwc h ILE 94 Ca -0.04 -0.31 0.04 0.00 -0.39 0.00 0.00 64.86 64.15 2kwc h ILE 94 Cb 1.35 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.09 2kwc h ILE 94 CO 0.14 0.00 0.20 0.22 -0.69 0.00 0.00 178.15 178.02 2kwc h TYR 95 N -1.07 0.00 -0.58 1.37 5.03 -1.59 1.31 116.97 121.44 2kwc h TYR 95 Ca -0.08 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.15 2kwc h TYR 95 Cb 0.58 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.84 2kwc h TYR 95 CO 0.02 0.00 0.04 1.96 -1.32 0.00 0.00 178.16 178.86 2kwc h GLN 96 N 0.00 0.99 -0.02 1.82 4.20 -1.05 1.43 115.11 122.49 2kwc h GLN 96 Ca 0.06 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.47 2kwc h GLN 96 Cb 0.46 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2kwc h GLN 96 CO -0.00 0.97 -0.06 0.39 -0.67 0.00 0.00 178.83 179.46 2kwc n GLU 97 N -4.26 1.48 -0.00 1.46 1.02 0.05 -4.22 120.64 116.17 2kwc n GLU 97 Ca 0.02 -1.43 0.04 0.00 -0.02 0.00 0.00 57.16 55.78 2kwc n GLU 97 Cb 0.31 -1.33 -0.05 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 0.81 0.00 -1.54 -0.32 8.25 0.43 -5.02 115.22 117.82 2kwc n HIS 98 Ca 0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 2kwc n HIS 98 Cb 0.43 -0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.52 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 -1.25 0.99 -3.46 -0.41 0.00 0.49 -4.70 118.16 109.82 2kwc n LYS 99 Ca 0.01 0.36 -0.23 0.00 0.00 0.00 0.00 58.31 58.45 2kwc n LYS 99 Cb 0.14 -1.80 0.04 0.00 0.00 0.00 0.00 35.03 33.41 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 -0.83 4.81 0.29 3.14 -1.08 -1.10 -4.98 116.67 116.92 2kwc s ASP 100 Ca 0.63 -1.11 0.26 0.00 -0.52 0.00 0.00 52.55 51.81 2kwc s ASP 100 Cb -0.59 0.51 0.93 0.00 -1.46 0.00 0.00 42.92 42.30 2kwc s ASP 100 CO 0.57 -1.31 1.76 0.11 0.52 0.00 0.00 175.17 176.82 2kwc h LYS 101 N 0.39 0.00 -0.64 4.34 1.57 -1.94 -2.05 116.57 118.25 2kwc h LYS 101 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2kwc h LYS 101 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 2kwc h LYS 101 CO 0.48 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 179.11 2kwc n ASP 102 N -2.40 3.79 0.00 0.86 10.43 -1.26 -4.94 116.55 123.02 2kwc n ASP 102 Ca 0.03 -2.20 0.00 0.00 2.57 0.00 0.00 54.79 55.19 2kwc n ASP 102 Cb 0.32 -0.48 0.00 0.00 1.84 0.00 0.00 41.12 42.80 2kwc n ASP 102 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2kwc n GLY 103 N 1.26 1.19 3.05 0.44 0.00 -0.77 -4.36 105.19 105.99 2kwc n GLY 103 Ca 0.22 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.89 -4.28 1.61 3.72 -1.26 -3.93 117.46 111.43 2kwc n PHE 104 Ca 0.00 0.18 -0.31 0.00 -0.05 0.00 0.00 57.45 57.28 2kwc n PHE 104 Cb 0.00 -1.42 -0.16 0.00 -0.94 0.00 0.00 39.48 36.95 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 1.67 1.85 -0.28 4.37 2.96 -1.24 -2.70 118.68 125.30 2kwc s LEU 105 Ca 0.37 -0.52 -0.18 0.00 -0.22 0.00 0.00 54.13 53.58 2kwc s LEU 105 Cb -0.04 -1.26 -0.02 0.00 0.50 0.00 0.00 46.19 45.37 2kwc s LEU 105 CO 0.42 -0.00 0.53 -0.31 -1.32 0.00 0.00 176.35 175.67 2kwc s TYR 106 N 1.19 3.24 0.11 5.38 1.51 -1.26 -0.68 117.35 126.84 2kwc s TYR 106 Ca -0.00 0.55 -0.04 0.00 -1.01 0.00 0.00 57.07 56.57 2kwc s TYR 106 Cb -0.14 -2.78 -0.03 0.00 -0.11 0.00 0.00 41.96 38.90 2kwc s TYR 106 CO -0.07 -0.35 0.10 0.54 -1.11 0.00 0.00 175.55 174.67 2kwc s VAL 107 N 2.36 0.13 -0.04 0.71 0.11 -1.09 -4.32 120.40 118.26 2kwc s VAL 107 Ca 0.21 -1.68 -0.02 0.00 -2.93 0.00 0.00 61.98 57.57 2kwc s VAL 107 Cb -0.15 -1.78 0.02 0.00 -1.53 0.00 0.00 36.38 32.94 2kwc s VAL 107 CO 0.10 -0.58 0.08 -0.89 -3.33 0.00 0.00 175.10 170.48 2kwc s THR 108 N -3.98 -0.03 0.13 5.04 2.01 0.21 -1.69 115.64 117.33 2kwc s THR 108 Ca 0.16 0.11 0.09 0.00 0.31 0.00 0.00 61.69 62.36 2kwc s THR 108 Cb 0.06 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.40 2kwc s THR 108 CO -0.03 0.05 -0.20 -0.72 -0.69 0.00 0.00 174.62 173.02 2kwc s TYR 109 N 0.65 1.85 0.23 4.92 1.13 -0.28 0.90 117.35 126.74 2kwc s TYR 109 Ca -0.05 -0.43 -0.09 0.00 -1.41 0.00 0.00 57.07 55.09 2kwc s TYR 109 Cb -0.07 -0.97 -0.02 0.00 -1.10 0.00 0.00 41.96 39.80 2kwc s TYR 109 CO -0.03 0.27 0.36 -1.54 -2.51 0.00 0.00 175.55 172.11 2kwc s SER 110 N -2.25 -0.01 -0.00 -0.18 1.04 -0.31 -1.48 113.70 110.51 2kwc s SER 110 Ca 0.11 -1.09 0.05 0.00 0.48 0.00 0.00 55.95 55.50 2kwc s SER 110 Cb -0.08 0.51 0.14 0.00 0.10 0.00 0.00 66.02 66.69 2kwc s SER 110 CO 0.05 -1.04 1.10 0.61 0.98 0.00 0.00 173.24 174.95 2kwc n GLY 111 N -0.34 -0.23 3.22 7.32 0.00 -1.26 0.27 105.19 114.17 2kwc n GLY 111 Ca -0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 2kwc n GLY 111 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kwc s GLU 112 N -1.78 0.96 -1.15 1.61 2.12 -1.25 -4.55 118.70 114.65 2kwc s GLU 112 Ca 0.10 -1.29 -0.04 0.00 0.36 0.00 0.00 54.97 54.10 2kwc s GLU 112 Cb 0.05 -0.62 0.25 0.00 0.26 0.00 0.00 34.13 34.07 2kwc s GLU 112 CO 0.07 0.09 1.85 -1.71 -0.54 0.00 0.00 175.26 175.02 2kwc n ASN 113 N 0.24 6.78 -4.09 -1.70 5.15 -1.26 -4.53 115.26 115.84 2kwc n ASN 113 Ca -0.14 -3.38 -0.10 0.00 -0.60 0.00 0.00 54.58 50.37 2kwc n ASN 113 Cb 0.59 -1.30 -0.09 0.00 -0.53 0.00 0.00 39.78 38.45 2kwc n ASN 113 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2kwc s THR 114 N -2.30 0.09 -1.81 -0.44 -4.23 -1.26 -5.04 115.64 100.65 2kwc s THR 114 Ca 0.40 -1.75 0.22 0.00 -1.18 0.00 0.00 61.69 59.38 2kwc s THR 114 Cb 0.13 -2.00 -0.05 0.00 1.34 0.00 0.00 72.50 71.92 2kwc s THR 114 CO -0.02 -0.39 1.06 0.49 -0.54 0.00 0.00 174.62 175.22 2kwc n PHE 115 N -0.14 0.00 0.00 3.99 3.72 -1.26 -4.98 117.46 118.79 2kwc n PHE 115 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2kwc n PHE 115 Cb 0.64 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 2kwc n PHE 115 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12