#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 0.84 -2.49 0.03 2.85 -1.26 -5.11 118.16 113.03 2kwc n LYS 2 Ca 0.00 -2.71 -0.34 0.00 -1.05 0.00 0.00 58.31 54.21 2kwc n LYS 2 Cb 0.00 0.27 -0.03 0.00 -0.65 0.00 0.00 35.03 34.62 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 -3.56 6.24 0.08 -5.58 0.01 -1.26 -4.96 113.70 104.67 2kwc s SER 3 Ca 0.26 1.99 0.22 0.00 1.31 0.00 0.00 55.95 59.72 2kwc s SER 3 Cb -0.02 -2.57 -0.17 0.00 0.21 0.00 0.00 66.02 63.47 2kwc s SER 3 CO 0.16 -0.86 0.75 0.35 0.41 0.00 0.00 173.24 174.05 2kwc n THR 4 N -0.99 0.40 -0.27 1.44 -2.24 -1.26 -4.18 114.28 107.18 2kwc n THR 4 Ca 0.10 -0.55 0.33 0.00 -2.27 0.00 0.00 64.05 61.66 2kwc n THR 4 Cb 0.52 -0.22 0.64 0.00 -2.10 0.00 0.00 70.33 69.17 2kwc n THR 4 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 2kwc h PHE 5 N 0.00 0.00 -0.29 4.78 -0.00 -1.93 1.61 116.94 121.12 2kwc h PHE 5 Ca -0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 57.91 2kwc h PHE 5 Cb 1.08 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.01 2kwc h PHE 5 CO 0.00 0.00 0.07 1.57 -0.00 0.00 0.00 178.31 179.95 2kwc h LYS 6 N 0.00 0.46 0.00 6.09 5.09 -1.76 -2.71 116.57 123.74 2kwc h LYS 6 Ca 0.54 -0.11 0.00 0.00 0.09 0.00 0.00 60.65 61.17 2kwc h LYS 6 Cb 2.61 -0.06 0.00 0.00 0.10 0.00 0.00 32.23 34.88 2kwc h LYS 6 CO -0.01 0.54 -0.63 0.45 -2.09 0.00 0.00 179.45 177.72 2kwc n SER 7 N -4.68 1.24 -0.52 7.07 2.88 0.41 -4.32 113.62 115.69 2kwc n SER 7 Ca -0.02 0.21 0.42 0.00 -1.33 0.00 0.00 58.87 58.15 2kwc n SER 7 Cb 0.19 -0.64 0.69 0.00 -0.75 0.00 0.00 64.21 63.69 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 -3.75 -0.02 -3.82 -1.46 4.71 0.45 -2.64 120.64 114.10 2kwc n GLU 8 Ca -0.09 1.15 -0.30 0.00 -0.01 0.00 0.00 57.16 57.91 2kwc n GLU 8 Cb 0.33 -2.37 -0.14 0.00 -1.01 0.00 0.00 31.44 28.24 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 -5.05 2.51 0.94 -0.32 2.02 -1.02 -4.97 117.35 111.46 2kwc s TYR 9 Ca -0.06 -2.58 -0.13 0.00 -0.37 0.00 0.00 57.07 53.93 2kwc s TYR 9 Cb 0.28 -2.25 0.15 0.00 -0.40 0.00 0.00 41.96 39.75 2kwc s TYR 9 CO 0.81 -0.82 1.15 -1.25 -1.57 0.00 0.00 175.55 173.87 2kwc s PRO 10 N 0.52 0.92 0.11 -1.71 0.04 -1.08 -4.35 135.00 129.44 2kwc s PRO 10 Ca 0.15 0.20 -0.33 0.00 0.04 0.00 0.00 61.00 61.06 2kwc s PRO 10 Cb -0.23 -1.82 -0.13 0.00 0.04 0.00 0.00 34.50 32.36 2kwc s PRO 10 CO -0.06 -2.33 1.57 0.35 0.04 0.00 0.00 177.00 176.57 2kwc h PHE 11 N -1.59 -1.38 -0.78 0.56 3.04 -1.93 0.15 116.94 115.02 2kwc h PHE 11 Ca -0.50 0.03 0.12 0.00 3.98 0.00 0.00 57.97 61.60 2kwc h PHE 11 Cb 1.32 0.58 -0.13 0.00 2.56 0.00 0.00 35.95 40.28 2kwc h PHE 11 CO -0.02 -0.58 -0.41 0.93 -2.02 0.00 0.00 178.31 176.22 2kwc h GLU 12 N -0.75 -0.10 0.50 1.11 5.08 -1.99 0.21 114.58 118.64 2kwc h GLU 12 Ca -0.00 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2kwc h GLU 12 Cb 0.75 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 2kwc h GLU 12 CO -0.25 -0.07 -0.47 -0.22 -1.00 0.00 0.00 179.01 177.01 2kwc h LYS 13 N -0.11 -0.93 -0.99 2.33 1.63 -1.80 -1.35 116.57 115.36 2kwc h LYS 13 Ca 0.25 0.06 0.34 0.00 -0.85 0.00 0.00 60.65 60.45 2kwc h LYS 13 Cb 0.56 0.21 -0.18 0.00 -0.60 0.00 0.00 32.23 32.22 2kwc h LYS 13 CO -0.82 -0.62 0.26 0.00 -3.45 0.00 0.00 179.45 174.82 2kwc h ARG 14 N -0.96 0.01 0.73 1.90 2.47 0.80 0.29 114.38 119.62 2kwc h ARG 14 Ca -0.06 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.62 2kwc h ARG 14 Cb 0.82 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.15 2kwc h ARG 14 CO -0.04 0.01 -0.37 -0.22 0.56 0.00 0.00 179.97 179.90 2kwc h LYS 15 N 0.01 -0.97 -0.83 0.04 3.64 0.23 -1.94 116.57 116.75 2kwc h LYS 15 Ca 0.71 0.07 0.14 0.00 -1.27 0.00 0.00 60.65 60.29 2kwc h LYS 15 Cb 1.68 0.22 -0.14 0.00 -0.41 0.00 0.00 32.23 33.58 2kwc h LYS 15 CO -0.85 -0.65 -0.36 0.00 -2.27 0.00 0.00 179.45 175.33 2kwc h ALA 16 N -1.47 0.11 -0.29 5.00 0.00 0.53 0.40 119.26 123.54 2kwc h ALA 16 Ca -0.10 0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2kwc h ALA 16 Cb 0.78 0.90 -0.05 0.00 0.00 0.00 0.00 17.79 19.42 2kwc h ALA 16 CO 0.15 -0.63 -0.33 0.93 0.00 0.00 0.00 179.25 179.37 2kwc h GLU 17 N -0.06 -0.19 -0.74 0.00 3.07 -0.77 1.03 114.58 116.91 2kwc h GLU 17 Ca 0.31 0.01 0.17 0.00 -0.50 0.00 0.00 59.36 59.35 2kwc h GLU 17 Cb 0.58 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.49 2kwc h GLU 17 CO -0.87 -0.13 0.51 1.03 -1.40 0.00 0.00 179.01 178.15 2kwc h SER 18 N -0.20 0.26 0.77 1.42 0.87 -0.25 0.74 113.55 117.17 2kwc h SER 18 Ca 0.05 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.55 2kwc h SER 18 Cb 0.34 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2kwc h SER 18 CO -0.38 0.13 -0.40 -0.33 -0.53 0.00 0.00 176.83 175.32 2kwc h GLU 19 N 0.28 0.00 0.00 2.24 4.39 0.41 -1.85 114.58 120.05 2kwc h GLU 19 Ca 0.36 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.06 2kwc h GLU 19 Cb 1.03 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.68 2kwc h GLU 19 CO -0.09 0.40 -0.06 0.00 -1.16 0.00 0.00 179.01 178.10 2kwc h ARG 20 N 0.00 0.00 -0.07 2.33 3.08 0.70 -1.59 114.38 118.83 2kwc h ARG 20 Ca -0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.07 2kwc h ARG 20 Cb 0.89 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 2kwc h ARG 20 CO 0.05 0.31 0.21 0.82 -1.07 0.00 0.00 179.97 180.30 2kwc h ILE 21 N -1.00 0.15 0.20 2.04 2.04 -0.84 0.24 117.51 120.34 2kwc h ILE 21 Ca -0.01 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.50 2kwc h ILE 21 Cb 0.35 0.80 0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2kwc h ILE 21 CO -0.01 0.00 -1.70 0.00 0.00 0.00 0.00 178.15 176.44 2kwc h ALA 22 N 1.64 0.11 -0.65 1.87 0.00 -1.39 0.51 119.26 121.34 2kwc h ALA 22 Ca 0.03 -1.10 0.01 0.00 0.00 0.00 0.00 54.91 53.86 2kwc h ALA 22 Cb 0.46 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2kwc h ALA 22 CO -0.00 0.96 0.43 0.22 0.00 0.00 0.00 179.25 180.87 2kwc h ASP 23 N 0.10 0.72 0.02 0.00 1.82 0.46 0.65 116.42 120.19 2kwc h ASP 23 Ca -0.33 -0.02 -0.28 0.00 -0.39 0.00 0.00 57.03 56.01 2kwc h ASP 23 Cb 2.10 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 41.90 2kwc h ASP 23 CO 0.19 0.52 -1.53 -1.14 -1.61 0.00 0.00 179.24 175.67 2kwc n ARG 24 N -4.44 0.61 -3.41 0.28 0.00 -0.29 -4.66 116.66 104.74 2kwc n ARG 24 Ca 0.07 0.49 -0.26 0.00 -0.00 0.00 0.00 57.85 58.14 2kwc n ARG 24 Cb 0.07 -1.72 -0.08 0.00 0.00 0.00 0.00 32.46 30.73 2kwc n ARG 24 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2kwc n PHE 25 N -4.22 2.32 1.31 -0.14 3.72 0.18 -4.88 117.46 115.75 2kwc n PHE 25 Ca -0.34 -3.97 0.12 0.00 -0.05 0.00 0.00 57.45 53.20 2kwc n PHE 25 Cb 0.77 -0.47 0.65 0.00 -0.94 0.00 0.00 39.48 39.50 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 1.22 0.56 -0.51 -1.08 -0.04 0.23 -2.07 135.00 133.31 2kwc n PRO 26 Ca 0.26 0.03 0.10 0.00 -0.04 0.00 0.00 63.50 63.85 2kwc n PRO 26 Cb 0.44 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.73 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 4.36 -4.22 3.54 5.03 -1.26 -4.95 115.26 116.64 2kwc n ASN 27 Ca 0.15 -2.31 -0.23 0.00 0.87 0.00 0.00 54.58 53.06 2kwc n ASN 27 Cb 0.13 -0.52 -0.02 0.00 -1.02 0.00 0.00 39.78 38.34 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 1.15 0.91 -3.41 3.52 5.12 -0.88 -3.10 116.66 119.98 2kwc n ARG 28 Ca 0.24 -2.85 -0.22 0.00 -1.93 0.00 0.00 57.85 53.10 2kwc n ARG 28 Cb 0.78 0.50 -0.10 0.00 -1.16 0.00 0.00 32.46 32.48 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 -2.30 -0.14 -0.89 0.55 1.01 0.47 -4.75 121.20 115.14 2kwc s ILE 29 Ca 0.15 -1.25 -0.25 0.00 0.00 0.00 0.00 60.65 59.30 2kwc s ILE 29 Cb -0.01 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.60 2kwc s ILE 29 CO 0.09 -0.74 1.66 -2.16 0.00 0.00 0.00 174.94 173.79 2kwc s PRO 30 N 1.34 3.04 0.05 2.79 0.04 -1.26 -2.39 135.00 138.61 2kwc s PRO 30 Ca 0.17 -0.48 -0.24 0.00 0.04 0.00 0.00 61.00 60.49 2kwc s PRO 30 Cb -0.18 -4.97 -0.06 0.00 0.04 0.00 0.00 34.50 29.33 2kwc s PRO 30 CO -0.04 -2.69 0.72 0.08 0.04 0.00 0.00 177.00 175.12 2kwc s VAL 31 N 7.45 4.72 -0.57 -0.36 1.01 0.12 -4.03 120.40 128.75 2kwc s VAL 31 Ca 0.56 1.55 -0.02 0.00 0.00 0.00 0.00 61.98 64.07 2kwc s VAL 31 Cb -0.05 -4.07 0.15 0.00 0.00 0.00 0.00 36.38 32.40 2kwc s VAL 31 CO 0.01 0.40 0.37 -0.63 0.00 0.00 0.00 175.10 175.25 2kwc s ILE 32 N -0.26 3.44 0.48 2.22 -1.09 -0.81 -2.00 121.20 123.18 2kwc s ILE 32 Ca 0.36 -2.87 -0.13 0.00 -2.23 0.00 0.00 60.65 55.79 2kwc s ILE 32 Cb -0.20 -3.28 -0.07 0.00 -1.58 0.00 0.00 42.46 37.33 2kwc s ILE 32 CO 0.22 -0.83 0.90 0.00 -1.23 0.00 0.00 174.94 174.00 2kwc s GLU 34 N -4.13 1.28 0.16 0.00 0.41 -0.02 -4.66 118.70 111.73 2kwc s GLU 34 Ca 0.55 -0.16 -0.31 0.00 -0.41 0.00 0.00 54.97 54.64 2kwc s GLU 34 Cb -0.10 -1.41 -0.18 0.00 -1.78 0.00 0.00 34.13 30.67 2kwc s GLU 34 CO 0.34 -0.26 0.67 1.17 -0.49 0.00 0.00 175.26 176.69 2kwc n LYS 35 N 4.94 0.06 -3.56 1.61 3.00 -1.26 -3.85 118.16 119.11 2kwc n LYS 35 Ca -0.12 0.02 -0.41 0.00 -0.00 0.00 0.00 58.31 57.80 2kwc n LYS 35 Cb 0.50 -1.15 -0.10 0.00 0.00 0.00 0.00 35.03 34.27 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 -0.77 3.34 0.28 3.14 0.00 -1.12 -4.91 121.76 121.73 2kwc s ALA 36 Ca 0.70 -1.81 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 2kwc s ALA 36 Cb -0.99 -2.69 0.62 0.00 0.00 0.00 0.00 23.12 20.05 2kwc s ALA 36 CO 0.56 -1.47 1.60 1.05 0.00 0.00 0.00 175.76 177.50 2kwc h GLU 37 N 8.49 0.05 -0.92 0.00 4.11 -1.91 0.93 114.58 125.34 2kwc h GLU 37 Ca -0.26 -0.00 0.27 0.00 0.07 0.00 0.00 59.36 59.44 2kwc h GLU 37 Cb 1.10 -0.01 -0.16 0.00 0.50 0.00 0.00 28.75 30.18 2kwc h GLU 37 CO 0.71 0.04 0.21 0.87 0.07 0.00 0.00 179.01 180.91 2kwc h LYS 38 N 0.05 0.13 -6.50 1.06 1.57 -1.97 -3.40 116.57 107.51 2kwc h LYS 38 Ca 0.52 -0.01 -0.47 0.00 -1.87 0.00 0.00 60.65 58.83 2kwc h LYS 38 Cb 1.01 -0.03 0.24 0.00 0.08 0.00 0.00 32.23 33.53 2kwc h LYS 38 CO -0.83 0.08 -1.50 0.45 -0.57 0.00 0.00 179.45 177.09 2kwc n SER 39 N -5.30 -2.61 0.00 0.86 2.88 0.32 -4.94 113.62 104.84 2kwc n SER 39 Ca 0.24 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 2kwc n SER 39 Cb 0.77 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 2kwc n SER 39 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2kwc n ASP 40 N -0.25 0.96 -4.86 -3.46 2.03 -1.26 -4.96 116.55 104.75 2kwc n ASP 40 Ca 0.00 -1.31 -0.30 0.00 0.52 0.00 0.00 54.79 53.70 2kwc n ASP 40 Cb 0.65 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 41.10 2kwc n ASP 40 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2kwc s ILE 41 N -0.31 3.76 0.28 5.18 -4.36 -1.26 -5.02 121.20 119.48 2kwc s ILE 41 Ca 0.00 0.57 -0.29 0.00 -0.26 0.00 0.00 60.65 60.67 2kwc s ILE 41 Cb 0.00 -3.50 -0.09 0.00 1.25 0.00 0.00 42.46 40.12 2kwc s ILE 41 CO 0.00 -0.75 1.08 -2.16 0.24 0.00 0.00 174.94 173.35 2kwc s PRO 42 N -5.25 4.65 1.04 0.37 0.04 -1.26 -5.01 135.00 129.58 2kwc s PRO 42 Ca 0.58 1.76 -0.15 0.00 0.04 0.00 0.00 61.00 63.23 2kwc s PRO 42 Cb -0.12 -3.17 0.10 0.00 0.04 0.00 0.00 34.50 31.35 2kwc s PRO 42 CO 0.53 0.23 0.41 -1.91 0.04 0.00 0.00 177.00 176.30 2kwc n GLU 43 N 1.17 -1.05 -2.09 4.56 2.13 -1.26 -4.92 120.64 119.18 2kwc n GLU 43 Ca -0.01 -0.27 -0.06 0.00 0.66 0.00 0.00 57.16 57.48 2kwc n GLU 43 Cb 0.45 -1.89 -0.00 0.00 0.27 0.00 0.00 31.44 30.27 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 -4.14 0.00 -0.08 6.31 -5.35 -1.26 -4.95 119.36 109.89 2kwc n ILE 44 Ca 0.05 -0.49 -0.14 0.00 -0.27 0.00 0.00 62.75 61.89 2kwc n ILE 44 Cb 0.57 -0.33 -0.09 0.00 -1.74 0.00 0.00 39.64 38.04 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 0.16 0.00 -5.16 7.28 5.19 -1.96 -3.50 116.42 118.44 2kwc h ASP 45 Ca -0.08 -0.56 -0.05 0.00 -0.62 0.00 0.00 57.03 55.72 2kwc h ASP 45 Cb 0.28 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.74 2kwc h ASP 45 CO 0.13 1.12 0.07 -1.59 -3.12 0.00 0.00 179.24 175.84 2kwc s LYS 46 N -2.21 1.86 -0.39 3.56 0.00 -1.26 -5.13 119.74 116.17 2kwc s LYS 46 Ca -0.20 -1.31 -0.04 0.00 0.00 0.00 0.00 55.97 54.42 2kwc s LYS 46 Cb 0.02 0.55 0.10 0.00 0.00 0.00 0.00 37.83 38.49 2kwc s LYS 46 CO 0.51 -0.82 0.18 -0.98 0.00 0.00 0.00 175.35 174.24 2kwc s ARG 47 N -3.38 2.16 -0.23 1.78 3.03 -1.26 -5.03 118.95 116.02 2kwc s ARG 47 Ca 0.19 -1.68 -0.03 0.00 2.03 0.00 0.00 55.73 56.24 2kwc s ARG 47 Cb -0.03 -3.55 0.12 0.00 -1.03 0.00 0.00 34.95 30.46 2kwc s ARG 47 CO 0.11 -0.98 0.35 0.15 -1.13 0.00 0.00 175.30 173.80 2kwc s LYS 48 N 1.20 0.32 -0.37 3.89 1.02 -1.26 -4.70 119.74 119.83 2kwc s LYS 48 Ca 0.05 0.52 0.01 0.00 0.02 0.00 0.00 55.97 56.57 2kwc s LYS 48 Cb -0.22 -0.53 0.12 0.00 -0.52 0.00 0.00 37.83 36.68 2kwc s LYS 48 CO -0.03 -0.61 0.18 0.71 -0.92 0.00 0.00 175.35 174.68 2kwc s TYR 49 N 2.51 1.62 -0.70 3.18 2.02 -0.84 -5.03 117.35 120.10 2kwc s TYR 49 Ca 0.11 -1.99 -0.16 0.00 -0.37 0.00 0.00 57.07 54.65 2kwc s TYR 49 Cb -0.15 -1.63 0.16 0.00 -0.40 0.00 0.00 41.96 39.94 2kwc s TYR 49 CO -0.15 -0.83 0.69 -1.17 -1.57 0.00 0.00 175.55 172.53 2kwc s LEU 50 N 0.98 6.22 0.16 -1.29 2.96 -1.26 0.16 118.68 126.62 2kwc s LEU 50 Ca 0.15 -2.14 0.07 0.00 -0.22 0.00 0.00 54.13 51.99 2kwc s LEU 50 Cb -0.21 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.20 2kwc s LEU 50 CO -0.10 -0.79 -0.03 0.68 -1.32 0.00 0.00 176.35 174.79 2kwc s VAL 51 N 1.24 3.64 0.98 1.68 -7.23 -1.01 -4.86 120.40 114.84 2kwc s VAL 51 Ca 0.13 -1.39 -0.15 0.00 -1.81 0.00 0.00 61.98 58.76 2kwc s VAL 51 Cb -0.19 -2.80 0.18 0.00 0.56 0.00 0.00 36.38 34.14 2kwc s VAL 51 CO -0.03 -0.06 1.17 -2.16 -0.31 0.00 0.00 175.10 173.72 2kwc s PRO 52 N -2.77 0.54 -0.10 4.82 0.04 -1.26 0.18 135.00 136.44 2kwc s PRO 52 Ca 0.26 0.07 0.07 0.00 0.04 0.00 0.00 61.00 61.44 2kwc s PRO 52 Cb -0.10 -1.79 0.38 0.00 0.04 0.00 0.00 34.50 33.04 2kwc s PRO 52 CO 0.17 -2.56 1.12 0.00 0.04 0.00 0.00 177.00 175.77 2kwc n ALA 53 N -3.98 3.08 -0.01 8.56 0.00 -1.18 -3.15 120.51 123.83 2kwc n ALA 53 Ca 0.10 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.66 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 0.33 0.69 -4.89 0.00 8.00 -1.26 -4.38 116.55 115.04 2kwc n ASP 54 Ca 0.13 -0.85 -0.29 0.00 0.71 0.00 0.00 54.79 54.49 2kwc n ASP 54 Cb 0.65 0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 42.03 2kwc n ASP 54 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2kwc s LEU 55 N -0.61 3.89 0.25 0.64 0.20 -1.19 -5.00 118.68 116.87 2kwc s LEU 55 Ca 0.00 0.94 0.07 0.00 0.69 0.00 0.00 54.13 55.83 2kwc s LEU 55 Cb 0.00 -3.81 -0.03 0.00 -0.43 0.00 0.00 46.19 41.91 2kwc s LEU 55 CO 0.00 -0.35 0.24 0.42 -0.29 0.00 0.00 176.35 176.37 2kwc s THR 56 N -2.32 4.63 0.15 3.68 -4.23 -1.26 -2.36 115.64 113.93 2kwc s THR 56 Ca 0.48 -1.29 -0.19 0.00 -1.18 0.00 0.00 61.69 59.50 2kwc s THR 56 Cb -0.10 -3.51 0.06 0.00 1.34 0.00 0.00 72.50 70.28 2kwc s THR 56 CO 0.33 -0.34 1.66 0.58 -0.54 0.00 0.00 174.62 176.31 2kwc h VAL 57 N 1.40 0.55 -0.95 2.29 2.07 -1.29 -1.65 116.25 118.67 2kwc h VAL 57 Ca -0.49 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.19 2kwc h VAL 57 Cb 1.24 0.55 -0.17 0.00 -1.52 0.00 0.00 31.29 31.39 2kwc h VAL 57 CO 0.61 0.00 -0.31 0.61 0.02 0.00 0.00 177.57 178.50 2kwc n GLY 58 N -1.32 -1.79 0.28 2.17 0.00 -0.99 0.49 105.19 104.04 2kwc n GLY 58 Ca 0.00 1.04 -0.08 0.00 0.00 0.00 0.00 46.02 46.99 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 -0.23 -0.47 1.61 4.20 -1.58 -2.19 115.11 116.46 2kwc h GLN 59 Ca 0.39 0.02 0.06 0.00 0.06 0.00 0.00 58.65 59.18 2kwc h GLN 59 Cb 0.62 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.37 2kwc h GLN 59 CO -0.96 -0.15 -0.50 0.35 -0.67 0.00 0.00 178.83 176.90 2kwc h PHE 60 N -0.24 -1.52 -1.53 2.96 3.04 0.15 0.89 116.94 120.69 2kwc h PHE 60 Ca 0.15 0.08 0.45 0.00 3.98 0.00 0.00 57.97 62.64 2kwc h PHE 60 Cb 0.47 0.73 -0.08 0.00 2.56 0.00 0.00 35.95 39.63 2kwc h PHE 60 CO -0.43 -0.46 1.08 0.28 -2.02 0.00 0.00 178.31 176.76 2kwc h VAL 61 N -0.33 0.19 0.13 1.41 2.07 -0.80 1.06 116.25 119.98 2kwc h VAL 61 Ca 0.12 -0.01 -0.20 0.00 0.82 0.00 0.00 66.70 67.42 2kwc h VAL 61 Cb 0.58 0.15 0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2kwc h VAL 61 CO -0.63 0.01 -0.87 0.22 0.02 0.00 0.00 177.57 176.32 2kwc h TYR 62 N 0.04 0.64 -0.32 1.57 3.20 0.95 -3.09 116.97 119.96 2kwc h TYR 62 Ca 0.77 -0.44 0.07 0.00 3.14 0.00 0.00 58.73 62.27 2kwc h TYR 62 Cb 2.91 -0.04 -0.08 0.00 1.54 0.00 0.00 36.73 41.07 2kwc h TYR 62 CO -0.00 1.32 -0.33 0.28 -1.64 0.00 0.00 178.16 177.79 2kwc h VAL 63 N -0.23 0.24 -0.41 1.81 2.07 0.35 0.10 116.25 120.19 2kwc h VAL 63 Ca -0.15 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.45 2kwc h VAL 63 Cb 1.66 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 2kwc h VAL 63 CO 0.17 0.00 0.01 0.40 0.02 0.00 0.00 177.57 178.17 2kwc h ILE 64 N -0.30 0.70 -0.39 4.57 5.03 -1.42 0.38 117.51 126.08 2kwc h ILE 64 Ca 0.15 -0.04 0.11 0.00 -0.12 0.00 0.00 64.86 64.96 2kwc h ILE 64 Cb 0.54 0.57 -0.02 0.00 -3.03 0.00 0.00 36.82 34.88 2kwc h ILE 64 CO -0.48 0.02 0.66 -0.09 -0.68 0.00 0.00 178.15 177.58 2kwc h ARG 65 N 0.12 0.00 0.07 2.37 2.43 -0.91 0.98 114.38 119.45 2kwc h ARG 65 Ca 0.20 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.17 2kwc h ARG 65 Cb 0.29 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2kwc h ARG 65 CO -0.33 0.00 -0.83 0.87 -1.51 0.00 0.00 179.97 178.17 2kwc h LYS 66 N 0.00 0.43 0.00 0.20 1.79 0.47 1.49 116.57 120.96 2kwc h LYS 66 Ca 0.19 -0.56 -0.02 0.00 -2.18 0.00 0.00 60.65 58.07 2kwc h LYS 66 Cb 1.51 0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 32.34 2kwc h LYS 66 CO -0.00 1.22 -0.09 0.00 -1.08 0.00 0.00 179.45 179.49 2kwc h ARG 67 N -0.09 0.00 -0.01 3.15 2.47 0.12 -1.24 114.38 118.78 2kwc h ARG 67 Ca -0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 2kwc h ARG 67 Cb 1.56 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.88 2kwc h ARG 67 CO 0.16 0.09 -0.19 0.44 0.56 0.00 0.00 179.97 181.03 2kwc n ILE 68 N -4.33 0.00 -4.32 2.04 -5.35 -0.53 -4.74 119.36 102.12 2kwc n ILE 68 Ca -0.03 -0.40 -0.32 0.00 -0.27 0.00 0.00 62.75 61.73 2kwc n ILE 68 Cb 0.17 1.21 -0.09 0.00 -1.74 0.00 0.00 39.64 39.18 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 0.14 -1.05 -1.64 6.28 0.00 0.49 -4.87 117.12 116.47 2kwc n MET 69 Ca 0.07 0.11 -0.33 0.00 0.00 0.00 0.00 57.70 57.55 2kwc n MET 69 Cb 0.31 -3.73 0.06 0.00 0.00 0.00 0.00 33.22 29.87 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 -7.36 3.31 0.92 3.17 1.02 0.00 -5.00 118.68 114.75 2kwc s LEU 70 Ca 0.07 1.97 -0.13 0.00 0.02 0.00 0.00 54.13 56.06 2kwc s LEU 70 Cb -0.04 -4.54 0.14 0.00 0.02 0.00 0.00 46.19 41.77 2kwc s LEU 70 CO 1.00 -1.73 1.14 -2.16 0.02 0.00 0.00 176.35 174.61 2kwc s PRO 71 N -4.27 1.07 0.00 1.29 0.04 -1.26 -4.92 135.00 126.95 2kwc s PRO 71 Ca 0.66 0.26 0.24 0.00 0.04 0.00 0.00 61.00 62.19 2kwc s PRO 71 Cb -0.20 -1.83 1.41 0.00 0.04 0.00 0.00 34.50 33.92 2kwc s PRO 71 CO 0.45 -2.24 1.78 -0.35 0.04 0.00 0.00 177.00 176.68 2kwc n PRO 72 N -3.79 0.75 -0.07 0.56 -0.04 -1.26 -2.69 135.00 128.46 2kwc n PRO 72 Ca 0.07 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.37 2kwc n PRO 72 Cb 0.59 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.99 0.69 -0.49 0.54 1.02 -1.26 -4.96 120.64 115.18 2kwc n GLU 73 Ca 0.18 0.17 -0.29 0.00 -0.02 0.00 0.00 57.16 57.20 2kwc n GLU 73 Cb 0.08 -1.61 0.27 0.00 -0.02 0.00 0.00 31.44 30.16 2kwc n GLU 73 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2kwc s LYS 74 N -2.54 -1.95 -0.27 3.49 1.02 -1.10 -5.05 119.74 113.34 2kwc s LYS 74 Ca -0.22 0.44 -0.01 0.00 0.02 0.00 0.00 55.97 56.21 2kwc s LYS 74 Cb 0.08 -1.47 0.16 0.00 -0.52 0.00 0.00 37.83 36.08 2kwc s LYS 74 CO 0.73 -4.31 0.48 0.00 -0.92 0.00 0.00 175.35 171.33 2kwc s ALA 75 N -2.40 -1.64 0.24 5.17 0.00 -1.26 -4.95 121.76 116.92 2kwc s ALA 75 Ca 0.69 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.78 2kwc s ALA 75 Cb -0.19 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 2kwc s ALA 75 CO 0.61 -1.42 0.42 -1.50 0.00 0.00 0.00 175.76 173.87 2kwc s ILE 76 N 2.68 5.19 -0.01 0.00 2.07 -1.26 -4.28 121.20 125.59 2kwc s ILE 76 Ca 0.15 -0.44 0.01 0.00 -1.41 0.00 0.00 60.65 58.95 2kwc s ILE 76 Cb -0.14 -3.77 0.01 0.00 0.13 0.00 0.00 42.46 38.68 2kwc s ILE 76 CO -0.21 -0.27 -0.02 -0.36 -1.91 0.00 0.00 174.94 172.17 2kwc s PHE 77 N -1.97 0.33 -0.09 3.50 0.08 0.98 -4.97 117.98 115.85 2kwc s PHE 77 Ca 0.38 -0.05 -0.06 0.00 0.12 0.00 0.00 56.93 57.32 2kwc s PHE 77 Cb -0.10 -0.29 -0.04 0.00 -0.57 0.00 0.00 43.02 42.01 2kwc s PHE 77 CO 0.30 -0.06 0.16 0.42 -0.10 0.00 0.00 175.22 175.95 2kwc s ILE 78 N 0.33 5.47 -0.21 0.64 -1.09 -1.26 -1.19 121.20 123.88 2kwc s ILE 78 Ca -0.03 0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.54 2kwc s ILE 78 Cb -0.06 -3.45 0.05 0.00 -1.58 0.00 0.00 42.46 37.42 2kwc s ILE 78 CO -0.01 0.54 -0.05 -0.36 -1.23 0.00 0.00 174.94 173.84 2kwc s PHE 79 N -1.11 2.10 -0.25 3.97 0.40 0.17 -4.64 117.98 118.62 2kwc s PHE 79 Ca 0.19 -1.51 -0.16 0.00 -0.60 0.00 0.00 56.93 54.85 2kwc s PHE 79 Cb -0.12 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 2kwc s PHE 79 CO 0.08 -0.72 0.40 0.08 0.70 0.00 0.00 175.22 175.76 2kwc s VAL 80 N 1.50 5.16 -1.51 -0.44 1.01 0.26 -2.03 120.40 124.35 2kwc s VAL 80 Ca -0.04 0.66 -0.02 0.00 0.00 0.00 0.00 61.98 62.59 2kwc s VAL 80 Cb -0.18 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.48 2kwc s VAL 80 CO -0.07 0.17 0.10 0.59 0.00 0.00 0.00 175.10 175.89 2kwc n ASN 81 N 5.13 0.53 -3.59 3.32 3.02 -1.24 0.19 115.26 122.61 2kwc n ASN 81 Ca -0.08 -1.24 -0.23 0.00 -0.03 0.00 0.00 54.58 53.01 2kwc n ASN 81 Cb 0.51 -1.84 0.07 0.00 -0.61 0.00 0.00 39.78 37.91 2kwc n ASN 81 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2kwc n ASP 82 N -2.88 -4.75 -3.98 6.41 9.92 -1.26 -4.99 116.55 115.02 2kwc n ASP 82 Ca -0.32 -0.60 -0.09 0.00 -0.53 0.00 0.00 54.79 53.25 2kwc n ASP 82 Cb 0.69 -4.89 -0.10 0.00 -0.64 0.00 0.00 41.12 36.18 2kwc n ASP 82 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2kwc s THR 83 N -3.35 0.15 -0.43 -3.53 -1.32 0.49 -5.10 115.64 102.56 2kwc s THR 83 Ca 0.40 -1.22 0.02 0.00 -1.21 0.00 0.00 61.69 59.68 2kwc s THR 83 Cb -0.18 -0.90 0.12 0.00 -1.51 0.00 0.00 72.50 70.03 2kwc s THR 83 CO 0.74 -0.67 0.20 -0.22 -2.21 0.00 0.00 174.62 172.46 2kwc s LEU 84 N -2.17 3.30 0.94 9.08 2.96 -1.26 0.92 118.68 132.45 2kwc s LEU 84 Ca -0.05 -2.52 -0.13 0.00 -0.22 0.00 0.00 54.13 51.21 2kwc s LEU 84 Cb -0.01 -1.24 0.16 0.00 0.50 0.00 0.00 46.19 45.60 2kwc s LEU 84 CO -0.05 -0.29 1.15 -2.16 -1.32 0.00 0.00 176.35 173.68 2kwc s PRO 85 N 0.44 0.89 0.67 0.98 0.04 -1.26 -5.04 135.00 131.72 2kwc s PRO 85 Ca 0.15 0.20 -0.12 0.00 0.04 0.00 0.00 61.00 61.28 2kwc s PRO 85 Cb -0.23 -1.82 -0.00 0.00 0.04 0.00 0.00 34.50 32.49 2kwc s PRO 85 CO -0.04 -2.35 1.06 -1.25 0.04 0.00 0.00 177.00 174.46 2kwc s PRO 86 N -5.34 3.03 0.08 0.56 0.04 -1.26 -4.94 135.00 127.18 2kwc s PRO 86 Ca 0.65 1.00 0.22 0.00 0.04 0.00 0.00 61.00 62.91 2kwc s PRO 86 Cb -0.13 -2.00 0.89 0.00 0.04 0.00 0.00 34.50 33.30 2kwc s PRO 86 CO 0.54 -1.03 1.69 -2.37 0.04 0.00 0.00 177.00 175.87 2kwc n THR 87 N -2.89 0.64 -0.01 1.26 5.66 -1.26 -2.38 114.28 115.29 2kwc n THR 87 Ca 0.08 0.10 -0.08 0.00 -3.05 0.00 0.00 64.05 61.10 2kwc n THR 87 Cb 0.53 -0.84 -0.13 0.00 -1.55 0.00 0.00 70.33 68.34 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 2.59 0.72 -1.59 1.79 0.00 -1.95 -2.62 119.26 118.20 2kwc h ALA 88 Ca 0.00 -1.35 -0.64 0.00 0.00 0.00 0.00 54.91 52.91 2kwc h ALA 88 Cb 0.41 0.40 0.10 0.00 0.00 0.00 0.00 17.79 18.70 2kwc h ALA 88 CO 0.00 1.49 -0.04 0.00 0.00 0.00 0.00 179.25 180.71 2kwc n ALA 89 N -2.52 -1.29 -2.56 0.00 0.00 -1.00 -4.68 120.51 108.46 2kwc n ALA 89 Ca -0.14 0.43 -0.39 0.00 0.00 0.00 0.00 53.44 53.34 2kwc n ALA 89 Cb 1.02 -1.89 -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 1.22 4.38 0.13 0.00 2.96 -1.26 -1.58 118.68 124.54 2kwc s LEU 90 Ca 0.65 1.09 0.12 0.00 -0.22 0.00 0.00 54.13 55.77 2kwc s LEU 90 Cb -0.83 -2.89 0.58 0.00 0.50 0.00 0.00 46.19 43.56 2kwc s LEU 90 CO 0.57 0.06 1.36 0.23 -1.32 0.00 0.00 176.35 177.25 2kwc n MET 91 N 3.02 0.07 0.05 1.98 2.81 -1.00 -0.13 117.12 123.92 2kwc n MET 91 Ca -0.06 0.50 -0.21 0.00 -1.81 0.00 0.00 57.70 56.12 2kwc n MET 91 Cb 0.51 -1.69 -0.14 0.00 -0.71 0.00 0.00 33.22 31.18 2kwc n MET 91 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2kwc h SER 92 N 0.00 0.48 0.84 7.83 4.64 -1.81 -2.20 113.55 123.34 2kwc h SER 92 Ca 0.00 -0.91 -0.23 0.00 -0.47 0.00 0.00 61.79 60.18 2kwc h SER 92 Cb 0.08 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 2kwc h SER 92 CO 0.00 1.52 -1.05 0.00 -0.87 0.00 0.00 176.83 176.42 2kwc h ALA 93 N 0.04 0.30 0.53 5.18 0.00 -1.63 -2.47 119.26 121.21 2kwc h ALA 93 Ca -0.22 -0.88 -0.03 0.00 0.00 0.00 0.00 54.91 53.79 2kwc h ALA 93 Cb 1.75 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.44 2kwc h ALA 93 CO 0.13 1.13 -0.25 0.82 0.00 0.00 0.00 179.25 181.07 2kwc h ILE 94 N 0.03 0.00 -0.09 0.00 1.08 -0.65 -2.85 117.51 115.03 2kwc h ILE 94 Ca -0.05 -0.34 0.03 0.00 -0.39 0.00 0.00 64.86 64.11 2kwc h ILE 94 Cb 1.79 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.54 2kwc h ILE 94 CO 0.15 0.00 0.14 0.22 -0.69 0.00 0.00 178.15 177.97 2kwc h TYR 95 N -1.05 0.00 -0.68 1.37 5.03 -1.52 1.14 116.97 121.26 2kwc h TYR 95 Ca -0.07 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.16 2kwc h TYR 95 Cb 0.55 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.80 2kwc h TYR 95 CO 0.02 0.00 0.12 1.96 -1.32 0.00 0.00 178.16 178.94 2kwc h GLN 96 N 0.00 1.11 -0.02 1.82 4.20 -1.32 1.42 115.11 122.33 2kwc h GLN 96 Ca 0.04 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.46 2kwc h GLN 96 Cb 0.32 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2kwc h GLN 96 CO -0.00 1.01 -0.05 0.39 -0.67 0.00 0.00 178.83 179.52 2kwc n GLU 97 N -4.22 1.35 0.00 1.46 1.02 -0.10 -4.23 120.64 115.91 2kwc n GLU 97 Ca 0.04 -1.38 0.04 0.00 -0.02 0.00 0.00 57.16 55.85 2kwc n GLU 97 Cb 0.29 -1.31 -0.03 0.00 -0.02 0.00 0.00 31.44 30.38 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 0.77 0.00 -1.65 -0.32 8.25 0.38 -5.02 115.22 117.62 2kwc n HIS 98 Ca 0.09 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.10 2kwc n HIS 98 Cb 0.40 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.48 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 -0.83 1.87 -1.95 -0.41 0.00 0.49 -4.64 118.16 112.68 2kwc n LYS 99 Ca 0.02 0.66 -0.30 0.00 0.00 0.00 0.00 58.31 58.70 2kwc n LYS 99 Cb 0.14 -2.26 0.21 0.00 0.00 0.00 0.00 35.03 33.11 2kwc n LYS 99 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2kwc n ASP 100 N 1.88 0.13 -0.07 3.14 9.92 -0.79 -4.93 116.55 125.83 2kwc n ASP 100 Ca 0.11 -1.51 0.15 0.00 -0.53 0.00 0.00 54.79 53.01 2kwc n ASP 100 Cb 0.31 -1.03 0.76 0.00 -0.64 0.00 0.00 41.12 40.52 2kwc n ASP 100 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2kwc n LYS 101 N -3.85 0.76 -0.12 -1.24 4.76 -1.26 -2.62 118.16 114.59 2kwc n LYS 101 Ca 0.17 -0.13 0.06 0.00 -2.87 0.00 0.00 58.31 55.54 2kwc n LYS 101 Cb 0.59 -1.50 0.12 0.00 -1.84 0.00 0.00 35.03 32.40 2kwc n LYS 101 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2kwc n ASP 102 N -1.00 2.61 0.00 4.39 4.64 -1.26 -5.01 116.55 120.92 2kwc n ASP 102 Ca 0.18 -1.81 0.00 0.00 -1.38 0.00 0.00 54.79 51.78 2kwc n ASP 102 Cb 0.22 -0.15 0.00 0.00 -1.04 0.00 0.00 41.12 40.15 2kwc n ASP 102 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2kwc n GLY 103 N 0.60 2.13 3.07 0.27 0.00 -1.08 -4.13 105.19 106.06 2kwc n GLY 103 Ca 0.10 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.51 -4.47 1.61 3.72 -1.26 -3.72 117.46 111.82 2kwc n PHE 104 Ca 0.00 0.37 -0.33 0.00 -0.05 0.00 0.00 57.45 57.43 2kwc n PHE 104 Cb 0.00 -1.44 -0.15 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 3.37 2.55 -0.37 4.37 2.96 -1.26 -1.88 118.68 128.43 2kwc s LEU 105 Ca 0.40 -0.44 -0.18 0.00 -0.22 0.00 0.00 54.13 53.68 2kwc s LEU 105 Cb -0.01 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 45.09 2kwc s LEU 105 CO 0.54 0.08 0.50 -0.31 -1.32 0.00 0.00 176.35 175.84 2kwc s TYR 106 N 0.84 3.17 0.14 5.38 1.51 -1.26 -1.93 117.35 125.19 2kwc s TYR 106 Ca -0.04 0.06 -0.05 0.00 -1.01 0.00 0.00 57.07 56.02 2kwc s TYR 106 Cb -0.15 -2.94 -0.02 0.00 -0.11 0.00 0.00 41.96 38.74 2kwc s TYR 106 CO -0.00 -0.58 0.16 0.54 -1.11 0.00 0.00 175.55 174.56 2kwc s VAL 107 N 2.36 0.10 -0.03 0.71 0.11 -1.23 -3.71 120.40 118.71 2kwc s VAL 107 Ca 0.17 -1.62 -0.01 0.00 -2.93 0.00 0.00 61.98 57.60 2kwc s VAL 107 Cb -0.16 -1.87 0.02 0.00 -1.53 0.00 0.00 36.38 32.85 2kwc s VAL 107 CO 0.14 -0.44 0.05 -0.89 -3.33 0.00 0.00 175.10 170.63 2kwc s THR 108 N -3.99 -0.04 -0.01 5.04 2.01 -0.86 -0.84 115.64 116.95 2kwc s THR 108 Ca 0.18 0.14 0.02 0.00 0.31 0.00 0.00 61.69 62.35 2kwc s THR 108 Cb 0.05 -0.10 -0.03 0.00 0.01 0.00 0.00 72.50 72.43 2kwc s THR 108 CO -0.01 0.06 -0.04 -0.72 -0.69 0.00 0.00 174.62 173.22 2kwc s TYR 109 N 0.75 2.97 -0.06 4.92 -0.85 -1.25 -0.66 117.35 123.17 2kwc s TYR 109 Ca -0.06 0.02 -0.10 0.00 -0.52 0.00 0.00 57.07 56.41 2kwc s TYR 109 Cb -0.09 -1.64 0.02 0.00 0.38 0.00 0.00 41.96 40.63 2kwc s TYR 109 CO -0.03 0.41 0.24 -1.54 -1.52 0.00 0.00 175.55 173.11 2kwc s SER 110 N -1.42 -0.19 0.41 -0.18 1.04 -0.33 -2.80 113.70 110.23 2kwc s SER 110 Ca 0.18 0.29 0.29 0.00 0.48 0.00 0.00 55.95 57.18 2kwc s SER 110 Cb -0.11 0.42 1.35 0.00 0.10 0.00 0.00 66.02 67.77 2kwc s SER 110 CO 0.08 -0.21 1.87 1.23 0.98 0.00 0.00 173.24 177.19 2kwc h GLY 111 N 5.10 0.00 -2.75 7.32 0.00 -1.85 0.28 103.07 111.16 2kwc h GLY 111 Ca -0.27 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.53 2kwc h GLY 111 CO 0.37 0.00 -0.57 1.85 0.00 0.00 0.00 176.54 178.19 2kwc s GLU 112 N -3.59 2.68 -1.29 4.80 2.56 -1.26 -4.27 118.70 118.33 2kwc s GLU 112 Ca 0.00 -1.20 -0.07 0.00 0.00 0.00 0.00 54.97 53.70 2kwc s GLU 112 Cb 0.09 -2.41 0.15 0.00 2.00 0.00 0.00 34.13 33.96 2kwc s GLU 112 CO 0.39 0.37 2.12 -1.71 -0.56 0.00 0.00 175.26 175.87 2kwc n ASN 113 N -1.08 6.69 -4.52 -1.70 2.85 -1.26 -4.48 115.26 111.75 2kwc n ASN 113 Ca -0.07 -3.14 -0.34 0.00 -0.11 0.00 0.00 54.58 50.92 2kwc n ASN 113 Cb 0.58 -1.41 -0.12 0.00 1.24 0.00 0.00 39.78 40.08 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 -0.58 4.02 -2.48 -0.44 -4.23 -1.26 -4.97 115.64 105.70 2kwc s THR 114 Ca 0.47 -0.31 0.22 0.00 -1.18 0.00 0.00 61.69 60.88 2kwc s THR 114 Cb 0.14 -2.77 0.12 0.00 1.34 0.00 0.00 72.50 71.33 2kwc s THR 114 CO -0.04 0.49 1.14 0.49 -0.54 0.00 0.00 174.62 176.16 2kwc n PHE 115 N 3.51 0.00 -0.14 3.99 3.01 -1.26 -4.99 117.46 121.57 2kwc n PHE 115 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 2kwc n PHE 115 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 2kwc n PHE 115 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18